SCHEMBL873948

SCHEMBL873948

CC/C=C1\OC(=O)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
TSHR P16473 1/20 1.00
MAPK1 P28482 1/20 1.00
TRPA1 O75762 1/20 0.73
KDM4E B2RXH2 4/20 0.53
HPGD P15428 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALOX15 P16050 1/20 0.50

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
SCHEMBL30234042 1.00 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1TRPA1KDM4E
SCHEMBL317445 1.00 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1TRPA1KDM4E
SCHEMBL17211775 1.00 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1TRPA1KDM4E
SCHEMBL31751764 1.00 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1TRPA1KDM4E
SCHEMBL901183 1.00 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1TRPA1KDM4E
Z-Butylidenephthalide SCHEMBL30268972 0.85 TRPA1 (1.00) ALDH1A1TSHRMAPK1TRPA1KDM4E
Z-Butylidenephthalide SCHEMBL29372485 0.85 TRPA1 (1.00) ALDH1A1TSHRMAPK1TRPA1KDM4E
Z-Butylidenephthalide SCHEMBL290483 0.85 TRPA1 (1.00) ALDH1A1TSHRMAPK1TRPA1KDM4E
Z-Butylidenephthalide SCHEMBL290482 0.85 TRPA1 (1.00) ALDH1A1TSHRMAPK1TRPA1KDM4E
Z-Butylidenephthalide SCHEMBL28057404 0.85 TRPA1 (1.00) ALDH1A1TSHRMAPK1TRPA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024084006-A1 ARTHROPOD CONTROL COMPOSITIONS FIRMENICH SA (CH) 2024-04-25 WO claimed
CN-112868647-A Application of perfume compound in preparation of sanitary articles for inhibiting infection of novel coronavirus 广西壮族自治区中国科学院广西植物研究所 2021-06-01 CN claimed
EP-3465198-B1 METHOD OF RESOLVING ALLERGENS IN PERFUME INGREDIENTS GIVAUDAN SA (CH) 2020-08-19 EP claimed
US-20190209441-A1 GEL NETWORK HAIR TREATMENT COMPOSITIONS WITH REDUCED ODOR WELLA OPERATIONS US, LLC 2019-07-11 US claimed
US-20190192408-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR WELLA OPERATIONS US, LLC 2019-06-27 US claimed
US-20190175476-A1 HAIR COLORING OR BLEACHING COMPOSITION WITH REDUCED ODOR WELLA OPERATIONS US, LLC 2019-06-13 US claimed
WO-2018145219-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ADDICTIONS BY MEANS OF AVERSIVE COUNTERCONDITIONING SERANI MOSTAZAL JORGE (CL) 2018-08-16 WO claimed
WO-2018053183-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR NOXELL CORPORATION (US) 2018-03-22 WO claimed
WO-2018053065-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR THE PROCTER & GAMBLE COMPANY (US) 2018-03-22 WO claimed
EP-3295925-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR Noxell Corporation (US) 2018-03-21 EP claimed
EP-1716159-A2 CYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS General Electronic Company (US) 2006-11-02 EP claimed
US-7105628-B2 Compositions for golf equipment ACUSHNET COMPANY (US) 2006-09-12 US claimed
EP-1697386-A1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES General Electric Company A Corporation of the State of New York (US) 2006-09-06 EP claimed
WO-2005066187-A1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GENERAL ELECTRIC COMPANY (US) 2005-07-21 WO claimed
WO-2005066186-A2 CYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS GENERAL ELECTRIC COMPANY (US) 2005-07-21 WO claimed
US-20050136022-A1 Cyclic siloxane compositions for the release of active ingredients MOMENTIVE PERFORMANCE MATERIALS INC. 2005-06-23 US claimed
US-20050136021-A1 Active-releasing cyclic siloxanes MOMENTIVE PERFORMANCE MATERIALS INC. 2005-06-23 US claimed
US-20040220378-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-04 US claimed
EP-1113782-B1 USE OF MENTHYL-2-PYRROLIDONE-5-CARBOXYLATE AS AN INSECT REPELLENT QUEST INT (NL) 2002-10-23 EP claimed
EP-0781091-B1 IMPROVEMENTS IN OR RELATING TO INSECT REPELLENTS QUEST INT (NL) 1999-08-25 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-20190192408-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR MAL2, MSH6, OR51E2 ALDH1A1 33/4885TSHR 1666/4885MAPK1 2461/4885
US-20050136022-A1 Cyclic siloxane compositions for the release of active ingredients F9, RPL39, ECPAS ALDH1A1 44/4885TSHR 4528/4885MAPK1 4256/4885
US-20050136021-A1 Active-releasing cyclic siloxanes F9, RPL39, ALDH16A1 ALDH1A1 57/4885TSHR 4168/4885MAPK1 4332/4885

“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.