SCHEMBL720558

SCHEMBL720558

O=CCc1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP2A6 P11509 1/20 0.56
RAB9A P51151 1/20 0.51
MC5R P33032 3/20 0.48
MC4R P32245 2/20 0.48
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
MC3R P41968 1/20 0.46
VDR P11473 1/20 0.45
MAPK1 P28482 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
KMT2A Q03164 1/20 0.44
PDPK1 O15530 1/20 0.44

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
SCHEMBL29955760 1.00 CYP1A2 (0.56) CYP1A2CYP2A6RAB9AMC5RMC4R
SCHEMBL11634757 0.93 CYP1A2 (0.48) CYP1A2CYP2A6RAB9AMC5RMC4R
SCHEMBL29058801 0.93 CYP1A2 (0.48) CYP1A2CYP2A6RAB9AMC5RMC4R
SCHEMBL27943264 0.82 CYP1A2 (0.47) CYP1A2CYP2A6RAB9AMC5RMC4R
SCHEMBL30753810 0.82 CYP1A2 (0.47) CYP1A2CYP2A6RAB9AMC5RMC4R
SCHEMBL835673 0.81 CYP1A2 (0.51) CYP1A2CYP2A6RAB9AMC5RMC4R
SCHEMBL3816833 0.81 ALDH1A1 (0.52) CYP1A2CYP2A6RAB9AMC5RMAPK1
SCHEMBL11739548 0.80 CYP1A2 (0.59) CYP1A2CYP2A6RAB9AMAPK1KMT2A
SCHEMBL4180971 0.80 CYP1A2 (0.54) CYP1A2CYP2A6RAB9AMC5RMC4R
SCHEMBL7269786 0.80 CYP2A6 (0.59) CYP1A2CYP2A6RAB9AMC5RMC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4346753-A1 PRO-BENEFIT AGENT COMPOUNDS WITH CARBON/NITROGEN BONDS The Procter & Gamble Company (US) 2024-04-10 EP claimed
EP-4347573-A1 PRO-BENEFIT-AGENT COMPOUNDS WITH HETEROCYCLIC MOIETIES The Procter & Gamble Company (US) 2024-04-10 EP claimed
EP-4259286-A1 TREATMENT COMPOSITIONS WITH PRO-FRAGRANCE SILICONE POLYMERS THAT COMPRISE HETEROCYCLIC MOIETIES The Procter & Gamble Company (US) 2023-10-18 EP claimed
EP-4251723-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2023-10-04 EP claimed
EP-4146778-A1 FRAGRANCE COMPOSITION Givaudan SA (CH) 2023-03-15 EP claimed
WO-2022251818-A1 PRO-BENEFIT-AGENT COMPOUNDS WITH HETEROCYCLIC MOIETIES THE PROCTER & GAMBLE COMPANY (US) 2022-12-01 WO claimed
WO-2022251817-A1 PRO-BENEFIT AGENT COMPOUNDS WITH CARBON/NITROGEN BONDS THE PROCTER & GAMBLE COMPANY (US) 2022-12-01 WO claimed
WO-2022130403-A1 NEW QUATERNARY AMMONIUM SALTS FOR TRIFLUOROMETHYLATION AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2022-06-23 WO claimed
WO-2022126093-A1 TREATMENT COMPOSITIONS WITH PRO-FRAGRANCE SILICONE POLYMERS THAT COMPRISE HETEROCYCLIC MOIETIES THE PROCTER & GAMBLE COMPANY (US) 2022-06-16 WO claimed
WO-2022112202-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2022-06-02 WO claimed
EP-1922398-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-05-21 EP claimed
WO-2007028477-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO claimed
WO-2007028479-A1 CONSUMER PRODUCTS HAVING VARYING ODORS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO claimed
EP-1113105-B1 Human sweat malodor counteractant composition and process for using same INT FLAVORS & FRAGRANCES INC (US) 2006-04-05 EP claimed
EP-1082287-B1 SLOW RELEASE OF FRAGRANT COMPOUNDS IN PERFUMERY USING 2-BENZOYL BENZOATES, 2-ALKANOYL BENZOATES OR ALPHA-KETO ESTERS FIRMENICH & CIE (CH) 2004-03-17 EP claimed
US-6492323-B2 CONTROLLED RELEASE UPON EXPOSURE TO LIGHT FIRMENICH SA (CH) 2002-12-10 US claimed
US-20010014661-A1 Slow release of fragrant compounds in perfumery using alpha-keto esters FIRMENICH SA (CH) 2001-08-16 US claimed
US-6218355-B1 FOR RELEASING FRAGRANT COMPOUND OR COMPOUNDS IN A CONTROLLED MANNER, MAINTAINING A DESIRED SMELL OVER A PROLONGED PERIOD OF TIME FIRMENICH SA (CH) 2001-04-17 US claimed
EP-1082287-A2 SLOW RELEASE OF FRAGRANT COMPOUNDS IN PERFUMERY USING 2-BENZOYL BENZOATES, 2-ALKANOYL BENZOATES OR ALPHA-KETO ESTERS FIRMENICH SA (CH) 2001-03-14 EP claimed
WO-1999060990-A2 SLOW RELEASE OF FRAGRANT COMPOUNDS IN PERFUMERY USING 2-BENZOYL BENZOATES, 2-ALKANOYL BENZOATES OR α-KETO ESTERS FIRMENICH S.A. (CH) 1999-12-02 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-20010014661-A1 Slow release of fragrant compounds in perfumery using alpha-keto esters FAAH, KHK, FAAH2 CYP1A2 258/4885CYP2A6 280/4885RAB9A 3162/4885

“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.