SCHEMBL470698

SCHEMBL470698

COc1c(C)cc(C=O)cc1C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.57
ALDH1A1 P00352 6/20 0.43
TSHR P16473 2/20 0.43
CYP2A6 P11509 2/20 0.43
TUBB1 Q9H4B7 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
AOX1 Q06278 1/20 0.39
TRIM24 O15164 1/20 0.39
HPGD P15428 1/20 0.39
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
LRRK2 Q5S007 1/20 0.39
FDPS P14324 1/20 0.37
KDM4E B2RXH2 1/20 0.37
AKR1B1 P15121 1/20 0.37

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
SCHEMBL7170908 0.90 SRC (0.49) SRCALDH1A1TSHRCYP2A6TUBB1
SCHEMBL5045913 0.87 ALDH1A1 (0.52) SRCALDH1A1TSHRTUBB1TDP1
SCHEMBL6291227 0.86 SRC (0.53) SRCALDH1A1TUBB1TDP1AOX1
SCHEMBL12552993 0.86 SRC (0.49) SRCALDH1A1TSHRCYP2A6TUBB1
SCHEMBL6738294 0.86 SRC (0.49) SRCALDH1A1TSHRCYP2A6TUBB1
SCHEMBL8986267 0.82 SRC (0.46) SRCALDH1A1TSHRCYP2A6TUBB1
SCHEMBL16077415 0.81 SRC (0.45) SRCALDH1A1TSHRCYP2A6TUBB1
SCHEMBL19554114 0.81 SRC (0.49) SRCALDH1A1TDP1HPGDKDM4E
SCHEMBL19499649 0.81 SRC (0.49) SRCALDH1A1TSHRTDP1AOX1
Methoxymethane SCHEMBL8986264 0.80 SRC (0.47) SRCALDH1A1TSHRCYP2A6TUBB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3947365-B1 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF BIONOMICS LTD (AU) 2025-10-01 EP disclosed
US-12139473-B2 Substituted-N-heteroaryl compounds and uses thereof BIONOMICS LIMITED (AU) 2024-11-12 US disclosed
EP-3676252-B1 DERIVATIVES AND COMPOSITION OF QUINOLINE AND NAPHTHYRIDINE CHULABHORN FOUND (TH) 2023-11-29 EP disclosed
CN-113230240-B 1,3-diphenylprop-2-en-1-one derivative and application thereof 广州医科大学 2022-12-27 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20220112176-A1 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2022-04-14 US disclosed
EP-3947365-A2 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF Bionomics Limited (AU) 2022-02-09 EP disclosed
CN-113230240-A 1, 3-diphenylprop-2-en-1-one derivative and application thereof 广州医科大学 2021-08-10 CN disclosed
CN-107567445-B 2-phenyl-3H-imidazo [4,5-B ] pyridine derivatives useful as inhibitors of mammalian tyrosine kinase ROR1 activity 坎塞拉有限公司 2021-06-29 CN disclosed
EP-3253754-B1 2-PHENYL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN TYROSINE KINASE ROR1 ACTIVITY KANCERA AB (SE) 2021-03-31 EP disclosed
EP-1073640-A1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2001-02-07 EP disclosed
US-6133305-A PREVENTION AND TREATMENT OF PROTEIN KINASE RELATED DISORDERS SUCH AS CANCER SUGEN, INC. (US) 2000-10-17 US disclosed
WO-2000056709-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS SUGEN, INC. (US) 2000-09-28 WO disclosed
US-6017916-A Nonpeptide endothelin antagonists I WARNER-LAMBERT COMPANY (US) 2000-01-25 US disclosed
WO-1999061435-A1 BENZOTHIOPHENES, BENZOFURANS, AND INDOLES USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-02 WO disclosed
WO-1999054309-A1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-28 WO disclosed
US-5691373-A TREATING SUBARACHNOID HEMORRHAGE WARNER-LAMBERT COMPANY (US) 1997-11-25 US disclosed
EP-0714391-A1 SUBSTITUTED 2(5H)FURANONE, 2(5H)THIOPHENONE AND 2(5H)PYRROLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-06-05 EP disclosed
WO-1996003387-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed
US-4197309-A AND THEIR OXIMES, USED TO INDUCE URICOSIC EFFECT WITHOUT DIURESIS ALBERT ROLAND S.A. (FR) 1980-04-08 US 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 (2 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-20220112176-A1 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF GABRE, GRIN2C, GRIN2A SRC 2105/4885ALDH1A1 3413/4885TSHR 2411/4885
US-12139473-B2 Substituted-N-heteroaryl compounds and uses thereof SCN3A, KCND3, GRIN3A SRC 907/4885ALDH1A1 4707/4885TSHR 2817/4885

“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.