SCHEMBL81136

SCHEMBL81136

O=C(O)CCc1ccc2c(c1)CCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.58
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
CHRM5 P08912 5/20 0.47
CHRM1 P11229 5/20 0.47
CHRM4 P08173 3/20 0.47
CHRM3 P20309 3/20 0.47
CHRM2 P08172 2/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRA2A P08913 1/20 0.47
DRD2 P14416 1/20 0.47
KCNE1 P15382 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
HRH2 P25021 1/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47

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
SCHEMBL9670805 0.91 FFAR4 (0.55) FABP4RAB9ANPC1POLBCHRM5
SCHEMBL27605521 0.89 RAB9A (0.51) FABP4RAB9ANPC1POLBCHRM5
SCHEMBL1405119 0.86 RAB9A (0.50) FABP4RAB9ANPC1POLBCHRM5
SCHEMBL18007683 0.86 RAB9A (0.49) FABP4RAB9ANPC1POLBCHRM5
SCHEMBL1403662 0.84 FABP4 (0.56) FABP4RAB9ANPC1POLBFAAH
SCHEMBL1382287 0.83 RAB9A (0.49) FABP4RAB9ANPC1POLBCHRM5
SCHEMBL22100738 0.82 TRPM8 (0.69) FABP4RAB9ANPC1POLBCHRM5
SCHEMBL3431079 0.82 TSHR (0.59) RAB9ANPC1CTNNB1CASP3PKM
SCHEMBL5048103 0.82 FABP4 (0.51) FABP4RAB9ANPC1POLBKCNH2
SCHEMBL24826094 0.81 CTNNB1 (0.52) FABP4RAB9ANPC1POLBFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120192307-A Compounds targeting p53 mutations 上海齐鲁制药研究中心有限公司 2025-06-24 CN disclosed
US-20240400502-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME UNIV QUEENSLAND (AU) 2024-12-05 US disclosed
CN-113582889-B Sulfonylureas and related compounds and uses thereof 昆士兰大学 2024-09-20 CN disclosed
US-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS VERNALIS (R&D) LTD (GB) 2024-05-09 US disclosed
EP-3880659-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2024-01-03 EP disclosed
US-11845715-B2 2023-12-19 US disclosed
US-11845715-B2 2023-12-19 US disclosed
US-11845715-B2 2023-12-19 US disclosed
US-11840543-B2 Compounds and uses THE UNIVERSITY OF QUEENSLAND (AU) 2023-12-12 US disclosed
US-11840543-B2 Compounds and uses THE UNIVERSITY OF QUEENSLAND (AU) 2023-12-12 US disclosed
US-20090069581-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-03-12 US disclosed
US-20090069581-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-03-12 US disclosed
WO-2008151170-A2 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-12-11 WO disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US disclosed
US-20040018239-A1 Pharmaceutical preparation containing copolyvidone TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-01-29 US disclosed
EP-1100508-B8 PHARMACEUTICAL COMBINATION COMPRISING A TRICYCLIC COMPOUND AND AT LEAST ONE OF ZOLPIDEM, ZOPICLONE AND BROTIZOLAM FOR TREATING OR PREVENTING SLEEP DISORDERS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-07 EP disclosed
EP-1334732-A1 PHARMACEUTICAL PREPARATION CONTAINING COPOLYVIDONE Takeda Chemical Industries, Ltd. (JP) 2003-08-13 EP disclosed
EP-1100508-A2 PHARMACEUTICAL COMBINATION COMPRISING A TRICYCLIC COMPOUND AND AT LEAST ONE OF ZOLPIDEM, ZOPICLONE AND BROTIZOLAM FOR TREATING OR PREVENTING SLEEP DISORDERS Takeda Chemical Industries, Ltd. (JP) 2001-05-23 EP disclosed
WO-1999063977-A2 PHARMACEUTICAL COMBINATION COMPRISING A TRICYCLIC COMPOUND AND AT LEAST ONE OF ZOLPIDEM, ZOPICLONE, TRIAZOLAM AND BROTIZOLAM FOR TREATING OR PREVENTING SLEEP DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-16 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 (7 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-20040018239-A1 Pharmaceutical preparation containing copolyvidone PRCP, COPS6, COPS5 FABP4 4479/4885RAB9A 563/4885NPC1 1782/4885
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 FABP4 322/4885RAB9A 2399/4885NPC1 1929/4885
US-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS BCL2, BAX, BCL2A1 FABP4 2841/4885RAB9A 2820/4885NPC1 901/4885
US-11845715-B2 NLRP3, PYCARD, NOD1 FABP4 1307/4885RAB9A 3413/4885NPC1 255/4885
US-20240400502-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME NLRP3, PYCARD, IAPP FABP4 728/4885RAB9A 3614/4885NPC1 799/4885
US-11840543-B2 Compounds and uses NLRP3, NOD1, IAPP FABP4 1901/4885RAB9A 2420/4885NPC1 202/4885
US-20090069581-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES CYP2B6, UGT1A6, CYP2A6 FABP4 4188/4885RAB9A 1350/4885NPC1 2256/4885

“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.