SCHEMBL6587570

SCHEMBL6587570

CC/C=C/CCOS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TSHR P16473 3/20 0.48
USP2 O75604 2/20 0.48
ALOX15 P16050 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
MMP9 P14780 1/20 0.48
LPAR2 Q9HBW0 3/20 0.36
LPAR3 Q9UBY5 3/20 0.36
LPAR1 Q92633 1/20 0.36
CYP19A1 P11511 2/20 0.33
RXRA P19793 2/20 0.33
PPARG P37231 2/20 0.33
OXER1 Q8TDS5 2/20 0.33
FFAR1 O14842 1/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
NR1I2 O75469 1/20 0.32
PGR P06401 1/20 0.32

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
SCHEMBL1048875 1.00 ALDH1A1 (0.48) ALDH1A1TSHRUSP2ALOX15KDM4E
SCHEMBL1048876 1.00 ALDH1A1 (0.48) ALDH1A1TSHRUSP2ALOX15KDM4E
SCHEMBL19766467 0.94 ALDH1A1 (0.43) ALDH1A1TSHRUSP2ALOX15KDM4E
SCHEMBL20236042 0.91 USP2 (0.57) ALDH1A1TSHRUSP2ALOX15KDM4E
SCHEMBL20236040 0.91 USP2 (0.57) ALDH1A1TSHRUSP2ALOX15KDM4E
SCHEMBL31681954 0.91 USP2 (0.57) ALDH1A1TSHRUSP2ALOX15KDM4E
SCHEMBL31437014 0.87 ALDH1A1 (0.56) ALDH1A1TSHRUSP2ALOX15KDM4E
SCHEMBL17784472 0.86 USP2 (0.48) ALDH1A1TSHRUSP2ALOX15KDM4E
SCHEMBL16416073 0.86 USP2 (0.48) ALDH1A1TSHRUSP2ALOX15KDM4E
SCHEMBL23294916 0.84 ALDH1A1 (0.58) ALDH1A1TSHRUSP2ALOX15KDM4E

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12503668-B2 Odorant compound FIRMENICH SA (CH) 2025-12-23 US disclosed
US-20230227751-A1 ODORANT COMPOUND FIRMENICH SA (CH) 2023-07-20 US disclosed
EP-4097199-A1 ODORANT COMPOUND Firmenich SA (CH) 2022-12-07 EP disclosed
CN-115210348-A Odorant compounds 弗门尼舍有限公司 2022-10-18 CN disclosed
WO-2021209393-A1 ODORANT COMPOUND FIRMENICH SA (CH) 2021-10-21 WO disclosed
EP-0823423-B1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-06-16 EP disclosed
CN-1188471-A 1,4-disubstituted piepridine derivatives BANYU PHARMA CO LTD (JP) 1998-07-22 CN disclosed
US-5750540-A SIDE EFFECT REDUCTION BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
EP-0823423-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed
EP-0232912-B1 HYDROXAMIC ACIDS OF 7-OXABICYCLOHEPTANE SUBSTITUTED ETHERS E.R. Squibb & Sons, Inc. (US) 1992-05-13 EP disclosed
EP-0161904-B1 TETRAHYDROFURANYL AND TETRAHYDROTHIENYL SUBSTITUTED ETHERS E.R. Squibb & Sons, Inc. (US) 1989-10-18 EP disclosed
EP-0232912-A1 Hydroxamic acids of 7-oxabicycloheptane substituted ethers E.R. Squibb & Sons, Inc. (US) 1987-08-19 EP disclosed
US-4654366-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPSORIATIC E. R. SQUIBB & SONS, INC. (US) 1987-03-31 US disclosed
EP-0163562-A1 7-Oxabicycloheptane substituted ethers E.R. Squibb & Sons, Inc. (US) 1985-12-04 EP disclosed
EP-0161904-A2 Tetrahydrofuranyl and tetrahydrothienyl substituted ethers E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed
US-4550120-A BRONCHODILATOR AGENTS, ANALGESICS E. R. SQUIBB & SONS, INC. (US) 1985-10-29 US disclosed
US-4542151-A CARDIOVASCULAR, BRONCHODILATION, ANALGESICS, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1985-09-17 US disclosed
US-4521539-A ANALGESICS, CARDIONVASCULAR AND ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1985-06-04 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 (2 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-20230227751-A1 ODORANT COMPOUND TRPA1, ACLY, CYP3A5 ALDH1A1 220/4885TSHR 4868/4885USP2 2960/4885
US-12503668-B2 Odorant compound TRPA1, ACLY, CYP3A5 ALDH1A1 220/4885TSHR 4868/4885USP2 2960/4885

“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.