SCHEMBL4495310

SCHEMBL4495310

CC1=C(C)C(C)(C)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
ALDH1A1 P00352 10/20 0.39
PTGS1 P23219 4/20 0.39
LMNA P02545 2/20 0.39
DRD3 P35462 2/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
HAO1 Q9UJM8 1/20 0.37
CYP3A4 P08684 5/20 0.35
APP P05067 4/20 0.35
SNCA P37840 4/20 0.35
ALOX15 P16050 3/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NR2E1 Q9Y466 1/20 0.35
MAPT P10636 7/20 0.33
RXRA P19793 5/20 0.33
RARA P10276 5/20 0.33
RARB P10826 5/20 0.33

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
SCHEMBL19019764 0.89 CYP1A2 (0.37) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL19019762 0.89 CYP1A2 (0.37) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL21523570 0.81
SCHEMBL19167425 0.76 CYP1A2 (0.40) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL2135859 0.76 CYP1A2 (0.36) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL29063474 0.76 KRAS (0.34) CYP1A2
SCHEMBL1242169 0.76 CYP1A2 (0.36) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL4678663 0.76 CYP1A2 (0.40) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL1659293 0.76 CYP1A2 (0.44) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL9342959 0.74 CYP1A2 (0.51) CYP1A2ALDH1A1PTGS1LMNADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020086895-A1 Methods of treating fungal infections CHU WAI-LAM ALEX (US) 2002-07-04 US claimed
EP-1005338-A4 SUBSTITUTED AURONE DERIVATIVES PHYTERA INC (US) 2001-11-07 EP claimed
US-6111125-A Preparation of (1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl methyl ketone and derivatives and stereoisomers of this compound BASF AKTIENGESELLSCHAFT (DE) 2000-08-29 US claimed
EP-1005338-A1 SUBSTITUTED AURONE DERIVATIVES PHYTERA, INC. (US) 2000-06-07 EP claimed
WO-1999004789-A1 SUBSTITUTED AURONE DERIVATIVES PHYTERA, INC. (US) 1999-02-04 WO claimed
EP-0673378-B1 NEW TRIAZOLOPYRIMIDONES, THEIR PREPARATION AND THEIR USE BASF AG (DE) 1997-03-12 EP claimed
EP-0671378-B1 Process for the preparation of (1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl-methylketone, its derivatives and stereoisomers BASF AG (DE) 1997-01-29 EP claimed
US-4073813-A PLATINUM REDUCTION CATALYST, ALDEHYDES, HYDROGEN RHONE-POULENC INDUSTRIES (FR) 1978-02-14 US claimed
EP-3184172-B1 HYDROSILYLATION IRON CATALYST UNIV KYUSHU NAT UNIV CORP (JP) 2024-09-04 EP disclosed
US-12016963-B2 Freshening compositions with alkoxylated phenols THE PROCTER & GAMBLE COMPANY (US) 2024-06-25 US disclosed
US-11946018-B2 Freshening compositions with ethoxylated/propoxylated aromatics THE PROCTER & GAMBLE COMPANY (US) 2024-04-02 US disclosed
CN-113861343-B Urethane (meth) acrylate, active energy ray-curable resin composition, cured product, and laminate 荒川化学工业株式会社 2023-11-10 CN disclosed
CN-113861343-A Urethane (meth) acrylate, active energy ray-curable resin composition, cured product, and laminate 荒川化学工业株式会社 2021-12-31 CN disclosed
CN-106573235-B Iron hydrosilylate catalyst 国立大学法人九州大学 2020-07-07 CN disclosed
US-4404301-A Polymeric light stabilizers having at least one 2,2,6,6-tetraalkyl piperidyl group and synthetic resin compositions containing the same ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1983-09-13 US disclosed
EP-0046606-A1 Oxygenated alicyclic compounds, process for their preparation and their use as starting materials in the preparation of cyclohexadienic compounds FIRMENICH SA (CH) 1982-03-03 EP disclosed
US-4215230-A Production of ionones and irones by thermal rearrangement of propargylic alcohols KURARAY CO., LTD. (JP) 1980-07-29 US disclosed
US-4179468-A Cyclic terpenoid onium salts, their preparation and uses SCM CORPORATION (US) 1979-12-18 US disclosed
US-4105697-A Process for the preparation of α, β-ethylenic aldehydes RHONE-POULENC INDUSTRIES (FR) 1978-08-08 US disclosed
US-4073813-A PLATINUM REDUCTION CATALYST, ALDEHYDES, HYDROGEN RHONE-POULENC INDUSTRIES (FR) 1978-02-14 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 (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-20020086895-A1 Methods of treating fungal infections COXFA4L2, DPM1, ERG28 CYP1A2 909/4885ALDH1A1 1149/4885PTGS1 1873/4885

“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.