SCHEMBL1856486

SCHEMBL1856486

CC(C)c1ccc2c(c1)CCC2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
HSD17B1 P14061 3/20 0.47
MIF P14174 1/20 0.46
GRM5 P41594 1/20 0.45
LMNA P02545 1/20 0.44
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
PRKCI P41743 1/20 0.42
HPGD P15428 1/20 0.41
GFER P55789 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PBRM1 Q86U86 1/20 0.40
ACACB O00763 1/20 0.40
PGR P06401 1/20 0.40
RNASEH1 O60930 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL12376488 0.89 MAOA (0.56) HSD17B10CASP1CASP7HSD17B1MIF
SCHEMBL20055113 0.86 LMNA (0.52) HSD17B10MIFLMNAMAOBMAOA
SCHEMBL31137714 0.85 CASP1 (0.53) HSD17B10CASP1CASP7HSD17B1MIF
SCHEMBL8599617 0.85 PBRM1 (0.53) HSD17B10CASP1CASP7HSD17B1MIF
SCHEMBL16548209 0.82 MCL1 (0.55) HSD17B10CASP1CASP7HSD17B1MIF
SCHEMBL7496441 0.79 MIF (0.48) HSD17B10MIFLMNAMAOBMAOA
SCHEMBL25700399 0.77 KDM4E (0.38) HSD17B10CASP1CASP7HSD17B1MIF
SCHEMBL8002224 0.77 CASP1 (0.42) HSD17B10CASP1CASP7HSD17B1MIF
SCHEMBL12545876 0.77 LMNA (0.48) HSD17B10MIFLMNAMAOBMAOA
SCHEMBL30540268 0.76 MAOA (0.49) HSD17B10MIFLMNAMAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382863-A1 MEK INHIBITORS AND USES THEREOF IMAGENEBIO, INC. 2023-11-30 US disclosed
WO-2023208151-A1 USP INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION 北京华森英诺生物科技有限公司 2023-11-02 WO disclosed
US-11739098-B2 Substituted indole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-29 US disclosed
CN-116621778-A USP inhibitor, preparation method and application thereof 北京华森英诺生物科技有限公司 2023-08-22 CN disclosed
US-11702409-B2 Pyrazolyl derivatives useful as anti-cancer agents NOVARTIS AG (CH) 2023-07-18 US disclosed
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 US disclosed
US-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases GENFIT (FR) 2021-07-06 US disclosed
EP-3230277-B1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD (CA) 2019-09-18 EP disclosed
US-10292968-B2 Substituted heterocycles as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2019-05-21 US disclosed
US-20170360756-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2017-12-21 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
CN-1835924-A Fused compounds that inhibit vanilloid receptor subtype 1(vr1) receptor ABBOTT LAB (US) 2006-09-20 CN disclosed
EP-1658269-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR Abbott Laboratories (US) 2006-05-24 EP disclosed
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2005-02-24 US disclosed
WO-2004111009-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2004-12-23 WO disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
EP-0856514-B1 8-substituted-1,3,8-triazaspiro[4.5]decan-4-on derivatives HOFFMANN LA ROCHE (CH) 2001-06-13 EP disclosed
US-6071925-A ANTIDEPRESSANTS, ANTICONVULSANTS OR ANTIANXIETY AGENTS, ALSO FOR TREATMENT OF MEMORY LOSS IN ALZHEIMER'S DISEASE HOFFMANN-LA ROCHE INC. (US) 2000-06-06 US disclosed
EP-0856514-A1 8-substituted-1,3,8-triazaspiro[4.5]decan-4-on derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-08-05 EP disclosed
US-3954983-A CENTRAL NERVOUS SYSTEM ANTIDEPRESSANTS RICHARDSON-MERRELL INC. (US) 1976-05-04 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 (10 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-11702409-B2 Pyrazolyl derivatives useful as anti-cancer agents PAK5, CYP51A1, SF3B5 HSD17B10 1566/4885CASP1 2005/4885CASP7 732/4885
US-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases RORA, RORC, RORB HSD17B10 2237/4885CASP1 1237/4885CASP7 2166/4885
US-20230382863-A1 MEK INHIBITORS AND USES THEREOF BRAF, NRAS, KRAS HSD17B10 3255/4885CASP1 2578/4885CASP7 1487/4885
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 HSD17B10 3340/4885CASP1 3621/4885CASP7 2891/4885
US-20170360756-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 HSD17B10 1605/4885CASP1 3384/4885CASP7 3455/4885
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ARRB1, TRPV1, TRPV5 HSD17B10 2652/4885CASP1 678/4885CASP7 2692/4885
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI2, PADI6 HSD17B10 135/4885CASP1 1683/4885CASP7 2400/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 HSD17B10 2245/4885CASP1 3342/4885CASP7 2182/4885
US-10292968-B2 Substituted heterocycles as bromodomain inhibitors BRD4, BRD3, BRD1 HSD17B10 1605/4885CASP1 3384/4885CASP7 3455/4885
US-11739098-B2 Substituted indole compounds TLR7, TLR1, HTR7 HSD17B10 2659/4885CASP1 474/4885CASP7 185/4885

“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.