SCHEMBL6964903

SCHEMBL6964903

CC(C)(C)Cc1ccc(C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.58
LOXL2 Q9Y4K0 2/20 0.54
ESR1 P03372 2/20 0.52
KIF11 P52732 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
EPHX2 P34913 1/20 0.42
CYP19A1 P11511 2/20 0.42
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
IDO1 P14902 2/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ESR2 Q92731 1/20 0.40
THRA P10827 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24450404 0.94 LOXL2 (0.53) CYP2A6LOXL2ESR1KIF11ALDH1A1
SCHEMBL16381567 0.94 KIF11 (0.57) CYP2A6LOXL2ESR1KIF11ALDH1A1
SCHEMBL26673579 0.87 CYP2A6 (0.54) CYP2A6LOXL2ESR1KIF11ALDH1A1
SCHEMBL24617848 0.83 KIF11 (0.54) CYP2A6LOXL2ESR1KIF11TSHR
SCHEMBL10669125 0.83 CYP2A6 (0.54) CYP2A6LOXL2ESR1KIF11ALDH1A1
SCHEMBL22339985 0.81 CYP2A6 (0.57) CYP2A6LOXL2ESR1KIF11ALDH1A1
SCHEMBL6685103 0.80 ESR1 (0.74) ESR1ALDH1A1TSHRKCNH2ESR2
SCHEMBL23974176 0.79 ESR1 (0.45) CYP2A6LOXL2ESR1ESR2THRA
SCHEMBL30915209 0.79 CYP2A6 (0.50) CYP2A6LOXL2ESR1KIF11ALDH1A1
SCHEMBL21578937 0.79 HRH3 (0.43) CYP2A6LOXL2ESR1TSHRHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 187 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12048240-B2 Organic compound, electronic component and electronic apparatus comprising the same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2024-07-23 US disclosed
US-20240244961-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2024-07-18 US disclosed
US-12024528-B2 Bridged tricyclic carbamoylpyridone compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-02 US disclosed
US-20240067641-A1 INHIBITORS OF TRIM33 AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-02-29 US disclosed
CN-112236464-B Resin composition, prepreg, metal foil-clad laminate, resin sheet, and printed wiring board 三菱瓦斯化学株式会社 2024-02-23 CN disclosed
US-11807616-B2 Organic compound, and electronic element and electronic device using same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-11-07 US disclosed
US-20230339971-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-10-26 US disclosed
US-20230339972-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-10-26 US disclosed
US-20230339971-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-10-26 US disclosed
US-20230339972-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-10-26 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
US-20080146564-A1 1,3-Dihydro-Benzimidazol-2-Ylidene Amines as Inhibitors of Respiratory Syncytial Virus Replication JANSSEN SCIENCES IRELAND UC (IE) 2008-06-19 US disclosed
US-7384937-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-06-10 US disclosed
US-20070249664-A1 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED 2007-10-25 US disclosed
US-20070249664-A1 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED 2007-10-25 US disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 US disclosed
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. 2007-01-25 US disclosed
WO-2004043367-A2 FUSED HETEROCYCLIC COMPOUNDS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070249664-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 CYP2A6 2044/4885LOXL2 1428/4885ESR1 2358/4885
US-20080146564-A1 1,3-Dihydro-Benzimidazol-2-Ylidene Amines as Inhibitors of Respiratory Syncytial Virus Replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, RTF2 CYP2A6 1579/4885LOXL2 1928/4885ESR1 3416/4885
US-20230339971-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF SDHA, SDHB, DHFR CYP2A6 373/4885LOXL2 4534/4885ESR1 4526/4885
US-12048240-B2 Organic compound, electronic component and electronic apparatus comprising the same PIEZO1, OCIAD1, OSTC CYP2A6 694/4885LOXL2 606/4885ESR1 45/4885
US-20070197628-A1 Cannabinoid receptor modulators CNR1, CNR2, GPR18 CYP2A6 395/4885LOXL2 1941/4885ESR1 1410/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK CYP2A6 409/4885LOXL2 2568/4885ESR1 3826/4885
US-20240067641-A1 INHIBITORS OF TRIM33 AND METHODS OF USE TRIM33, TRIM28, TRIM4 CYP2A6 4183/4885LOXL2 3062/4885ESR1 3911/4885
US-11807616-B2 Organic compound, and electronic element and electronic device using same PIEZO1, OR10J3, OR51E2 CYP2A6 1340/4885LOXL2 274/4885ESR1 16/4885
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor GHSR, GHRHR, GIPR CYP2A6 1407/4885LOXL2 3309/4885ESR1 534/4885
US-20240244961-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS AOX1, AOC2, OSTC CYP2A6 823/4885LOXL2 537/4885ESR1 26/4885
US-12024528-B2 Bridged tricyclic carbamoylpyridone compounds and uses thereof SDHA, SDHB, DPYD CYP2A6 365/4885LOXL2 4541/4885ESR1 4405/4885
US-20230339972-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF SDHA, SDHB, DPYD CYP2A6 365/4885LOXL2 4541/4885ESR1 4405/4885
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists CHRM3, CHRNG, CHRM2 CYP2A6 2044/4885LOXL2 1428/4885ESR1 2358/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.