SCHEMBL84441

SCHEMBL84441

COC(=O)c1cccc(C(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.53
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
HDAC4 P56524 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
RAB9A P51151 4/20 0.50
POLB P06746 1/20 0.50
PFKFB3 Q16875 1/20 0.49
PFKFB4 Q16877 1/20 0.49
NPC1 O15118 3/20 0.49
MAPT P10636 2/20 0.49
KAT6A Q92794 1/20 0.49
SLC7A5 Q01650 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CASR P41180 1/20 0.48
TP53BP1 Q12888 1/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL24726523 0.90 RXRA (0.58) TSHRLOXL2CYP4F2CYP4A11
SCHEMBL26453747 0.87 TSHR (0.52) TSHRLOXL2CYP4F2CYP4A11PTGS1
SCHEMBL26453761 0.87 TSHR (0.52) TSHRLOXL2CYP4F2CYP4A11PTGS1
SCHEMBL698948 0.87 TSHR (0.52) TSHRLOXL2CYP4F2CYP4A11PTGS1
SCHEMBL246026 0.87 TSHR (0.52) TSHRLOXL2CYP4F2CYP4A11PTGS1
SCHEMBL10609523 0.87 TSHR (0.52) TSHRLOXL2CYP4F2CYP4A11PTGS1
SCHEMBL28403579 0.87 RXRA (0.49) HDAC4HDAC8PTGS1PTGS2RAB9A
SCHEMBL15019977 0.86 TSHR (0.50) TSHRLOXL2CYP4F2CYP4A11PTGS1
SCHEMBL9522934 0.86 TSHR (0.50) TSHRLOXL2CYP4F2CYP4A11PTGS1
SCHEMBL20072393 0.86 TSHR (0.50) TSHRLOXL2CYP4F2CYP4A11PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 WO disclosed
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 US disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-11873295-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PETRA PHARMA CORPORATION (US) 2024-01-16 US disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
US-7220735-B2 Benzimidazolone histamine H3 antagonists SCHERING CORPORATION (US) 2007-05-22 US disclosed
US-20070105890-A1 Novel condensed imidazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD 2007-05-10 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
WO-2006012504-A2 COMPOUNDS AND METHODS FOR TREATMENT OF THROMBOSIS DAIAMED, INC. (US) 2006-02-02 WO disclosed
US-6022899-A EFFECTIVE INHIBITORS OF THE CELLULAR SODIUM PROTON ANTIPORTER HOECHST AKTIENGESELLSCHAFT (DE) 2000-02-08 US disclosed
US-5753710-A INHIBITORS OF THE CELLULAR SODIUM PROTON ANTIPORTER HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-19 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 (11 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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A TSHR 2647/4885LOXL2 3971/4885CYP4F2 1510/4885
US-20070105890-A1 Novel condensed imidazole derivative DPP4, DPP7, DPP3 TSHR 862/4885LOXL2 4107/4885CYP4F2 91/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TSHR 2250/4885LOXL2 3968/4885CYP4F2 1512/4885
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 TSHR 370/4885LOXL2 4788/4885CYP4F2 1467/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS TSHR 2355/4885LOXL2 3342/4885CYP4F2 2014/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 TSHR 156/4885LOXL2 1020/4885CYP4F2 274/4885
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 TSHR 156/4885LOXL2 1020/4885CYP4F2 274/4885
US-11873295-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PIK3CA, PIK3R4, PIK3R5 TSHR 370/4885LOXL2 4788/4885CYP4F2 1467/4885
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS TSHR 2355/4885LOXL2 3342/4885CYP4F2 2014/4885
US-20070082908-A1 Bicycle pyrazole derivative DPP4, DPP7, DPP3 TSHR 650/4885LOXL2 4753/4885CYP4F2 63/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 TSHR 441/4885LOXL2 2973/4885CYP4F2 653/4885

“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.