SCHEMBL911097

SCHEMBL911097

COc1ccc(CCC=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.55
F2RL1 P55085 1/20 0.52
MAOB P27338 2/20 0.50
CALM1 P0DP23 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
AOC3 Q16853 1/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
IDO1 P14902 1/20 0.48
CYP2A6 P11509 1/20 0.48
GPR52 Q9Y2T5 1/20 0.47
HTT P42858 1/20 0.47
CA12 O43570 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
SCHEMBL24197395 0.94 MAOB (0.59) TAAR1F2RL1MAOBCALM1SMN1; SMN2
SCHEMBL6554052 0.89 SLC2A1 (0.46) TAAR1F2RL1MAOBCALM1SMN1; SMN2
SCHEMBL1272900 0.88 CALM1 (0.56) TAAR1F2RL1MAOBCALM1SMN1; SMN2
Toluene SCHEMBL28669119 0.88 GPR52 (0.50) TAAR1SMN1; SMN2ALDH1A1GPR52
Hydrochloric Acid SCHEMBL6614288 0.86 CALM1 (0.55) TAAR1F2RL1MAOBCALM1ALOX15
SCHEMBL3836788 0.86 CALM1 (0.55) TAAR1F2RL1MAOBCALM1ALOX15
SCHEMBL11044754 0.85 CALM1 (0.53) TAAR1F2RL1CALM1ALOX15CA12
SCHEMBL27241091 0.85 CALM1 (0.53) TAAR1F2RL1CALM1ALOX15CA12
SCHEMBL616311 0.83 CYP1A2 (0.59) SMN1; SMN2ALDH1A1TP53CYP3A4CYP2A6
SCHEMBL9671868 0.82 HIF1A (0.37) ALDH1A1GPR52CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12398341-B2 Apparatus and compositions for improving scent delivery THE PROCTER & GAMBLE COMPANY (US) 2025-08-26 US claimed
US-12247180-B2 Apparatus and compositions for improving scent delivery THE PROCTER & GAMBLE COMPANY (US) 2025-03-11 US claimed
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
CN-114956932-B Synthesis method of polysubstituted chiral tetrahydroquinoline compound 东北大学秦皇岛分校 2023-11-10 CN claimed
CN-116693377-A Preparation method of anisoyl propanal 江苏馨瑞香料有限公司 2023-09-05 CN claimed
CN-114956932-A Synthesis method of polysubstituted chiral tetrahydroquinoline compound 东北大学秦皇岛分校 2022-08-30 CN claimed
US-11424006-B2 Targeted drugs associated with trimethylamine and/or trimeihylamine-n-oxide PSOMAGEN, INC. (US) 2022-08-23 US claimed
US-20210128498-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE MACROGEN INC. (KR) 2021-05-06 US claimed
US-10787484-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2020-09-29 US claimed
EP-3668494-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE Psomagen, Inc. (US) 2020-06-24 EP claimed
WO-1994025046-A1 METHOD OF COMBATING ACYCLOVIR-RESISTANT HERPES SIMPLEX VIRAL INFECTIONS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-11-10 WO claimed
WO-1993018056-A1 ISOSTERIC ANTIHERPES PEPTIDE DERIVATIVES BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-16 WO claimed
EP-0560267-A1 Isosteric antiherpes peptide derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-15 EP claimed
EP-0480918-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1992-04-22 EP claimed
EP-0443559-A2 HIV protease inhibiting agents BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 EP claimed
EP-0480918-A4 REDUCED SIZE LHRH ANALOGS. ABBOTT LAB (US) 1991-06-04 EP claimed
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP claimed
US-4873362-A REACTING AN ACYLOXYACETALDEHYDE WITH AN ALDEHYDE USING AN AMINE AND ACID CATALYST SYSTEM BASF AKTIENGESELLSCHAFT (DE) 1989-10-10 US claimed
WO-1989007451-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO claimed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-11424006-B2 Targeted drugs associated with trimethylamine and/or trimeihylamine-n-oxide PNMT, MAOA, HNMT TAAR1 66/4885F2RL1 4354/4885MAOB 15/4885
US-20210128498-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE MAOA, PNMT, HNMT TAAR1 48/4885F2RL1 3485/4885MAOB 10/4885
US-10787484-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 TAAR1 4623/4885F2RL1 288/4885MAOB 1282/4885

“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.