SCHEMBL317445

SCHEMBL317445

CCC=C1OC(=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
SCHEMBL17211775 1.00 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1TRPA1KDM4E
SCHEMBL873948 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 801 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260068882-A1 ARTHROPOD CONTROLLING COMPOSITION FIRMENICH & CIE (CH) 2026-03-12 US claimed
EP-4583708-A1 ARTHROPOD CONTROL COMPOSITIONS Firmenich SA (CH) 2025-07-16 EP claimed
US-20240306688-A1 METHOD OF MITIGATING OFF-ODORS GIVAUDAN SA (CH) 2024-09-19 US claimed
EP-4391827-A1 METHOD OF MITIGATING OFF-ODORS Givaudan SA (CH) 2024-07-03 EP claimed
WO-2024084006-A1 ARTHROPOD CONTROL COMPOSITIONS FIRMENICH SA (CH) 2024-04-25 WO claimed
CN-117897055-A Method for reducing abnormal odor 奇华顿股份有限公司 2024-04-16 CN claimed
EP-4212025-A1 MOUTH-COATING FEEL ENHANCER AJINOMOTO CO., INC. (JP) 2023-07-19 EP claimed
US-20230210153-A1 MOUTH-COATING FEEL ENHANCER AJINOMOTO CO., INC. (JP) 2023-07-06 US claimed
WO-2023025549-A1 METHOD OF MITIGATING OFF-ODORS GIVAUDAN SA (CH) 2023-03-02 WO claimed
CN-217511851-U Effective synthetic reaction unit of 3-propylidene phthalide 石家庄琪跃化工有限公司 2022-09-30 CN 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
US-6451844-B1 Use of menthyl-2 pyrrolidone-5-carboxylate as an insect repellent QUEST INTERNATIONAL BV (NL) 2002-09-17 US claimed
EP-1119250-A1 INSECT REPELLENTS QUEST INTERNATIONAL NEDERLAND BV (NL) 2001-08-01 EP claimed
EP-1113782-A1 USE OF MENTHYL-2-PYRROLIDONE-5-CARBOXYLATE AS AN INSECT REPELLENT QUEST INTERNATIONAL B.V. (NL) 2001-07-11 EP claimed
WO-2000019822-A1 INSECT REPELLENTS QUEST INTERNATIONAL B.V. (NL) 2000-04-13 WO claimed
WO-2000016738-A1 USE OF MENTHYL-2-PYRROLIDONE-5-CARBOXYLATE AS AN INSECT REPELLENT QUEST INTERNATIONAL B.V. (NL) 2000-03-30 WO claimed
EP-0781091-B1 IMPROVEMENTS IN OR RELATING TO INSECT REPELLENTS QUEST INT (NL) 1999-08-25 EP claimed
EP-0781091-A2 IMPROVEMENTS IN OR RELATING TO INSECT REPELLENTS QUEST INTERNATIONAL B.V. (NL) 1997-07-02 EP claimed
WO-1996008147-A2 IMPROVEMENTS IN OR RELATING TO INSECT REPELLENTS QUEST INTERNATIONAL B.V. (NL) 1996-03-21 WO 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 (1 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-20260068882-A1 ARTHROPOD CONTROLLING COMPOSITION CNOT9, MSL1, MT-CO2 ALDH1A1 3224/4885TSHR 1958/4885MAPK1 3039/4885

“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.