SCHEMBL1409623

SCHEMBL1409623

Cc1ccc(C(C)(C)N)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
PDE2A O00408 1/20 0.52
ACHE P22303 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
CA5A P35218 2/20 0.43
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KIF11 P52732 3/20 0.38
CYP19A1 P11511 1/20 0.37
CA7 P43166 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
Hydrochloric Acid SCHEMBL16447038 0.97 TSHR (0.57) TSHRPDE2AACHETDP1CA1
Iodide SCHEMBL25233686 0.97 TSHR (0.57) TSHRPDE2AACHETDP1CA1
SCHEMBL11624060 0.88 PDE2A (0.48) TSHRPDE2AACHETDP1CA1
SCHEMBL1706121 0.87 PDE2A (0.62) TSHRPDE2ATDP1AKT1AKT2
SCHEMBL19523658 0.82 NFE2L2 (0.43) TSHRPDE2ACA1MAPTCYP1A2
SCHEMBL2892242 0.82 TSHR (0.60) TSHRPDE2AACHETDP1CA1
SCHEMBL10843149 0.82 TSHR (0.60) TSHRPDE2AACHETDP1CA1
SCHEMBL15745695 0.82 TSHR (0.60) TSHRPDE2AACHETDP1CA1
SCHEMBL6049865 0.81 TSHR (0.58) TSHRACHETDP1CA1CA2
SCHEMBL3667462 0.80 TSHR (0.50) TSHRPDE2AACHETDP1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56131553-A None JP disclosed
US-20260007688-A1 SYNTHETIC ANALOGS OF CANNABINOL (CBN) FOR THE TREATMENT OF AGERELATED NEUROLOGICAL DISORDERS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2026-01-08 US disclosed
WO-2024258789-A1 MODULATORS OF CDK2 AND USES THEREOF TRIANA BIOMEDICINES, INC. (US) 2024-12-19 WO disclosed
WO-2024148193-A1 SYNTHETIC ANALOGS OF CANNABINOL (CBN) FOR THE TREATMENT OF AGE-RELATED NEUROLOGICAL DISORDERS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2024-07-11 WO disclosed
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 US disclosed
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed
US-20230159469-A1 NOVEL PHTHALAZINE DERIVATIVE HAVING ECTONUCLOEOTIDE PYROPHOSPHATASE/PHOSPHODIESTE RASE INHIBITORY ACTIVITY, AND USE THEREOF TXINNO BIOSCIENCE INC. (KR) 2023-05-25 US disclosed
US-20230159469-A1 NOVEL PHTHALAZINE DERIVATIVE HAVING ECTONUCLOEOTIDE PYROPHOSPHATASE/PHOSPHODIESTE RASE INHIBITORY ACTIVITY, AND USE THEREOF TXINNO BIOSCIENCE INC. (KR) 2023-05-25 US disclosed
EP-4008758-A2 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2022-06-08 EP disclosed
US-10442693-B2 Porous nanostructured polyimide networks and methods of manufacture AEROGEL TECHNOLOGIES, LLC (US) 2019-10-15 US disclosed
EP-0635485-B1 TETRAHYDROPHTHALAMIDE DERIVATIVE, INTERMEDIATE FOR PRODUCING THE SAME, PRODUCTION OF BOTH, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEM RES (JP) 1997-06-11 EP disclosed
US-5554581-A Tetrahydrophthalamide derivative, intermediate for producing the same, production of both, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-09-10 US disclosed
EP-0725074-A2 Compounds suitable for use as intermediates in the preparation of Androst-3,5-dien-3-carboxy derivatives SANKYO COMPANY LIMITED (JP) 1996-08-07 EP disclosed
US-5536714-A Steroid derivatives for the treatment of prostatic hypertrophy their preparation and uses SANKYO COMPANY, LIMITED (JP) 1996-07-16 US disclosed
US-5506190-A Tetrahydrophthalamide derivative, intermediate for producing the same, production of both, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-04-09 US disclosed
EP-0635485-A1 TETRAHYDROPHTHALAMIDE DERIVATIVE, INTERMEDIATE FOR PRODUCING THE SAME, PRODUCTION OF BOTH, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-01-25 EP disclosed
EP-0567271-A2 Steroid derivatives for the treatment of prostatic hypertrophy, their preparation and uses SANKYO COMPANY LIMITED (JP) 1993-10-27 EP disclosed
US-4627874-A RICE PRODUCTION IDEMITSU KOSAN COMPANY LIMITED (JP) 1986-12-09 US disclosed
US-4455164-A HALOGENATED DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 1984-06-19 US disclosed
JP-S56131553-A OPTICALLY ACTIVE N-BENZYL-HALOACETAMIDE DERIVATIVE, ITS PREPARATION, AND HERBICIDE CONTAINING SAID DERIVATIVE AS EFFECTIVE COMPONENT SUMITOMO CHEM CO LTD 1981-10-15 JP 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 (3 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-20260007688-A1 SYNTHETIC ANALOGS OF CANNABINOL (CBN) FOR THE TREATMENT OF AGERELATED NEUROLOGICAL DISORDERS AIFM2, FECH, NLN TSHR 2061/4885PDE2A 4557/4885ACHE 2187/4885
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF NSD3, PML, NSD1 TSHR 3398/4885PDE2A 3619/4885ACHE 4527/4885
US-20230159469-A1 NOVEL PHTHALAZINE DERIVATIVE HAVING ECTONUCLOEOTIDE PYROPHOSPHATASE/PHOSPHODIESTE RASE INHIBITORY ACTIVITY, AND USE THEREOF ENPP1, ENPP3, PPA1 TSHR 3987/4885PDE2A 932/4885ACHE 1513/4885

“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.