SCHEMBL21654552

SCHEMBL21654552

CC(C)c1cccc2c#cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.39
LMNA P02545 3/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRB2 P47870 2/20 0.39
FAAH O00519 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
HTR2B P41595 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL8312100 0.74 GABRA1 (0.40) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL20825100 0.71 ALDH1A1 (0.46) LMNACYP1A2CYP3A4HPGDTSHR
SCHEMBL30381967 0.69 GABRA1 (0.57) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL4657600 0.69 GABRA1 (0.57) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL2491376 0.68 GABRA1 (0.35) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL5541323 0.67 GABRA1 (0.40) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL5546613 0.65 GABRA1 (0.39) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL20719348 0.61 GABRA1 (0.39) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL66681 0.61 ALDH1A1 (0.60) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL11745542 0.61 GABRA1 (0.48) GABRA1LMNAGABRG2GABRB3GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627689-B1 SYNTHETIC PROCESSING OILS FOR POLYURETHANE FILLINGS TUDAPETROL MINERALÖLERZEUGNISSE NILS HANSEN KG (DE) 2016-12-14 EP claimed
US-20240228512-A1 ACYCLIC OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF GENENTECH, INC. (US) 2024-07-11 US disclosed
WO-2023150394-A1 METHODS FOR TREATMENT OF CANCER FRONTIER MEDICINES CORPORATION (US) 2023-08-10 WO disclosed
US-20220204521-A1 ELECTROACTIVE COMPOUNDS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2022-06-30 US disclosed
US-20220140246-A1 NON-FULLERENE ACCEPTORS (NFAS) AS INTERFACIAL LAYERS IN PEROVSKITE SEMICONDUCTOR DEVICES CUBIC PEROVSKITE LLC 2022-05-05 US disclosed
US-11026926-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2021-06-08 US disclosed
US-20210159419-A1 NON-FULLERENE ACCEPTORS (NFAS) AS INTERFACIAL LAYERS IN PEROVSKITE SEMICONDUCTOR DEVICES CUBICPV INC. 2021-05-27 US disclosed
WO-2021061515-A1 SHP2 INHIBITORS AND USES THEREOF SYNBLIA THERAPEUTICS, INC. (US) 2021-04-01 WO disclosed
US-10874672-B2 Methods for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2020-12-29 US disclosed
WO-2020231669-A1 ELECTROACTIVE COMPOUNDS DUPONT ELECTRONICS, INC. (US) 2020-11-19 WO disclosed
US-9994555-B2 Chromenone inhibitors of monocarboxylate transporters THE SCRIPPS RESEARCH INSTITUTE (US) 2018-06-12 US disclosed
US-9872911-B2 Alpha-aminoamidine polymers and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-01-23 US disclosed
EP-2258356-B1 CHEMICAL COMPOUNDS HAVING ANTIVIRAL ACTIVITY AGAINST DENGUE VIRUS AND OTHER FLAVIVIRUSES CT INGENIERIA GENETICA BIOTECNOLOGIA (CU) 2017-09-27 EP disclosed
WO-2017157735-A1 SUBSTITUTED SULFONYL AMIDES FOR CONTROLLING ANIMAL PESTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-09-21 WO disclosed
US-20170182029-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2017-06-29 US disclosed
US-9636328-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-02 US disclosed
US-20160304700-A1 ORGANIC LAYER COMPOSITION, ORGANIC LAYER, AND METHOD OF FORMING PATTERNS SAMSUNG SDI CO., LTD. (KR) 2016-10-20 US disclosed
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
EP-2627689-A1 SYNTHETIC PROCESSING OILS FOR POLYURETHANE FILLINGS Tudapetrol Mineralölerzeugnisse Nils Hansen KG (DE) 2013-08-21 EP disclosed
WO-2012048874-A1 SYNTHETIC PROCESSING OILS FOR POLYURETHANE FILLINGS TUDAPETROL MINERALÖLERZEUGNISSE NILS HANSEN KG (DE) 2012-04-19 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 (7 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-11026926-B2 Substituted bicyclic compounds as bromodomain inhibitors BRD4, BRD3, BRD2 GABRA1 656/4885LMNA 2150/4885GABRG2 882/4885
US-20210159419-A1 NON-FULLERENE ACCEPTORS (NFAS) AS INTERFACIAL LAYERS IN PEROVSKITE SEMICONDUCTOR DEVICES NBAS, TNK1, NME1 GABRA1 2632/4885LMNA 1738/4885GABRG2 3214/4885
US-20170182029-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 GABRA1 760/4885LMNA 2533/4885GABRG2 1019/4885
US-20220140246-A1 NON-FULLERENE ACCEPTORS (NFAS) AS INTERFACIAL LAYERS IN PEROVSKITE SEMICONDUCTOR DEVICES NBAS, TNK1, NME1 GABRA1 2632/4885LMNA 1738/4885GABRG2 3214/4885
US-20240228512-A1 ACYCLIC OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF AZI2, HDAC5, HDAC4 GABRA1 211/4885LMNA 4375/4885GABRG2 123/4885
US-10874672-B2 Methods for treating Huntington's disease HTT, HYPK, FH GABRA1 1494/4885LMNA 1284/4885GABRG2 1218/4885
US-20220204521-A1 ELECTROACTIVE COMPOUNDS AHR, CYP1B1, KCNH1 GABRA1 251/4885LMNA 2331/4885GABRG2 556/4885

“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.