SCHEMBL2411087

SCHEMBL2411087

CCCCCC1CC1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.56
GABRR1 P24046 4/20 0.48
GABRR2 P28476 1/20 0.48
ALDH1A1 P00352 5/20 0.41
S1PR3 Q99500 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.38
AKR1B1 P15121 1/20 0.38
TP53 P04637 1/20 0.38
GPR84 Q9NQS5 2/20 0.37

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
SCHEMBL3493155 1.00 ALOX5 (0.56) ALOX5GABRR1GABRR2ALDH1A1S1PR3
SCHEMBL3493080 1.00 ALOX5 (0.56) ALOX5GABRR1GABRR2ALDH1A1S1PR3
SCHEMBL11213402 0.98 ALOX5 (0.59) ALOX5GABRR1GABRR2ALDH1A1S1PR3
SCHEMBL301664 0.98 ALOX5 (0.59) ALOX5GABRR1GABRR2ALDH1A1S1PR3
SCHEMBL10884586 0.98 ALOX5 (0.59) ALOX5GABRR1GABRR2ALDH1A1S1PR3
SCHEMBL24354392 0.98 ALOX5 (0.59) ALOX5GABRR1GABRR2ALDH1A1S1PR3
SCHEMBL3491458 0.98 ALOX5 (0.59) ALOX5GABRR1GABRR2ALDH1A1S1PR3
SCHEMBL17779527 0.98 ALOX5 (0.59) ALOX5GABRR1GABRR2ALDH1A1S1PR3
SCHEMBL21972780 0.98 ALOX5 (0.59) ALOX5GABRR1GABRR2ALDH1A1S1PR3
SCHEMBL11414522 0.98 ALOX5 (0.59) ALOX5GABRR1GABRR2ALDH1A1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102863341-B Chemical synthesis method of (1R, 2S)-2-aryl cyclopropylamine derivative UNIV NANTONG 2014-05-07 CN claimed
CN-102863341-A Chemical synthesis method of (1R, 2S)-2-aryl cyclopropylamine derivative UNIV NANTONG 2013-01-09 CN claimed
US-20100331575-A1 Processes For The Preparation Of Optically Active Intermediates ASTRAZENECA AB (SE) 2010-12-30 US claimed
US-7790927-B2 Using hypochlorite in water in presence of alkali metal hydroxide ASTRAZENECA AB (SE) 2010-09-07 US claimed
US-20090221462-A1 Fragrance compositions QUEST INTERNATIONAL SERVICES B.V. (NL) 2009-09-03 US claimed
CN-101495444-A A process for the preparation of optically active cyclopropylamines ASTRAZENECA AB (SE) 2009-07-29 CN claimed
EP-2049463-A1 A PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE CYCLOPROPYLAMINES Astra Zeneca AB (SE) 2009-04-22 EP claimed
US-20080071114-A1 Processes For The Preparation Of Optically Active Intermediates ASTRAZENECA AB (SE) 2008-03-20 US claimed
WO-2008018823-A1 A PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE CYCLOPROPYLAMINES ASTRAZENECA AB (SE) 2008-02-14 WO claimed
WO-2006131739-A1 FRAGRANCE COMPOSITIONS QUEST INTERNATIONAL SERVICES B.V. (NL) 2006-12-14 WO claimed
EP-0015604-B1 COMPOUNDS AND COMPOSITIONS FOR USE IN INHIBITION OF LIPOGENESIS IN MAMMALS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1983-02-23 EP claimed
JP-10165132-A None JP disclosed
CN-118599598-A Perfume composition 小川香料株式会社 2024-09-06 CN disclosed
EP-2668255-B1 MALODOR NEUTRALIZING COMPOSITIONS COMPRISING BORNYL ACETATE OR ISOBORNYL ACETATE ROBERTET INC (US) 2020-08-12 EP disclosed
CN-102883602-B Method for reducing virulence of bacteria UWM研究基金会有限公司 2017-07-18 CN disclosed
US-4528142-A 1-Hydroxymethyl-2-acyl cyclopropane derivatives and esters thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-07-09 US disclosed
US-4500448-A PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-02-19 US disclosed
US-4481225-A ACETATE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-11-06 US disclosed
US-4435428-A Use in augmenting or enhancing the aroma or taste of foodstuff or chewing gum with the methyl carbonate of 1-hydroxymethyl-2-heptanoyl cyclopropane INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-03-06 US disclosed
US-3991123-A PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-11-09 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-20080071114-A1 Processes For The Preparation Of Optically Active Intermediates DHPS, CYP1B1, CYP2S1 ALOX5 480/4885GABRR1 533/4885GABRR2 532/4885
US-20100331575-A1 Processes For The Preparation Of Optically Active Intermediates DHPS, CYP1B1, CYP2S1 ALOX5 480/4885GABRR1 533/4885GABRR2 532/4885

“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.