SCHEMBL497769

SCHEMBL497769

c1ccc2c([C]3CC3)cccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
TSHR P16473 5/20 0.46
HSD17B10 Q99714 5/20 0.46
CYP2A6 P11509 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
NISCH Q9Y2I1 1/20 0.46
KDM4E B2RXH2 2/20 0.42
PTPN1 P18031 1/20 0.42
ALPL P05186 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
KEAP1 Q14145 1/20 0.42
HPRT1 P00492 1/20 0.42
POLB P06746 1/20 0.41
GALR1 P47211 1/20 0.41
MAPK1 P28482 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ATM Q13315 2/20 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
SCHEMBL497993 0.91 NISCH (0.43) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL4723266 0.91 NISCH (0.43) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL28753798 0.89 NISCH (0.42) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL1783499 0.89 NISCH (0.42) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL9044714 0.85 NISCH (0.47) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL31447766 0.84 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL25302086 0.81 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL27953 0.81 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL29350007 0.81 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL4723992 0.79 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4165033-A1 SHP2 INHIBITORS, COMPOSITIONS AND USES THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2023-04-19 EP claimed
WO-2021249449-A1 SHP2 INHIBITORS, COMPOSITIONS AND USES THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2021-12-16 WO claimed
CN-104974206-B The Phosphoramidate derivatives of FdUrd for treating cancer 努卡那生物医药有限责任公司 2019-08-23 CN claimed
EP-1654225-A4 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AMGEN INC (US) 2007-11-28 EP claimed
EP-1654225-A2 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS Amgen, Inc. (US) 2006-05-10 EP claimed
US-20050256161-A1 Melanin concentrating hormone receptor antagonists AMGEN INC. 2005-11-17 US claimed
WO-2005019240-A2 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AMGEN, INC. (US) 2005-03-03 WO claimed
CN-114944459-B Organic electroluminescent device 长春海谱润斯科技股份有限公司 2024-07-02 CN disclosed
CN-118139509-A Organic electroluminescent device 长春海谱润斯科技股份有限公司 2024-06-04 CN disclosed
CN-117924268-A Heterocyclic compound and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2024-04-26 CN disclosed
CN-117903189-A Carbazole compound and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2024-04-19 CN disclosed
CN-117903188-A Heterocyclic compound and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2024-04-19 CN disclosed
CN-117756648-A Aromatic amine compound and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2024-03-26 CN disclosed
CN-1213379-A Peptide derivatives ZENECA LTD (GB) 1999-04-07 CN disclosed
EP-0882066-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1998-12-09 EP disclosed
WO-1998025951-A1 INHIBITORS OF PEPTIDE BINDING TO MHC CLASS II PROTEINS ZENECA LIMITED (GB) 1998-06-18 WO disclosed
WO-1998023644-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1998-06-04 WO disclosed
WO-1998017680-A1 PEPTIDE ANALOGUES CONTAINING A 7-MEMBERED LACTAM RING ZENECA LIMITED (GB) 1998-04-30 WO disclosed
WO-1997046578-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1997-12-11 WO disclosed
WO-1997031023-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1997-08-28 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 (1 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-20050256161-A1 Melanin concentrating hormone receptor antagonists MCHR1, MC1R, NPY1R ALDH1A1 1836/4885TSHR 19/4885HSD17B10 1382/4885

“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.