SCHEMBL4331368

SCHEMBL4331368

[CH]=Cc1cc(C)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
TDP1 Q9NUW8 5/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 5/20 0.41
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 2/20 0.38
GAA P10253 2/20 0.38
TP53 P04637 2/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
HSP90AA1 P07900 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
HSD17B10 Q99714 2/20 0.34

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
SCHEMBL8182651 0.80 ALOX5 (0.47) ALOX5PTGS1PTGS2TDP1ALDH1A1
SCHEMBL20972366 0.80 AMY1A (0.44) TDP1ALDH1A1LMNACYP1A2CYP2A6
SCHEMBL5252720 0.79 ALOX5 (0.50) ALOX5PTGS1PTGS2TDP1ALDH1A1
SCHEMBL1611334 0.77 ALOX5 (0.48) ALOX5PTGS1PTGS2TDP1ALDH1A1
SCHEMBL8182648 0.75 ALOX5 (0.47) ALOX5PTGS1PTGS2TDP1ALDH1A1
SCHEMBL6631859 0.75 ALOX5 (0.52) ALOX5PTGS1PTGS2TDP1ALDH1A1
SCHEMBL87447 0.75 ALOX5 (0.47) ALOX5PTGS1PTGS2TDP1ALDH1A1
SCHEMBL268706 0.75 ALDH1A1 (0.52) ALOX5PTGS1PTGS2TDP1ALDH1A1
SCHEMBL8879774 0.75 ALOX5 (0.52) ALOX5PTGS1PTGS2TDP1ALDH1A1
SCHEMBL5953422 0.75 ALOX5 (0.47) ALOX5PTGS1PTGS2TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3707231-B1 ANTI-FOAM COMPOSITIONS PROCTER & GAMBLE (US) 2021-12-01 EP claimed
EP-3707231-A1 ANTI-FOAM COMPOSITIONS The Procter and Gamble Company (US) 2020-09-16 EP claimed
EP-3707231-B1 ANTI-FOAM COMPOSITIONS PROCTER & GAMBLE (US) 2021-12-01 EP disclosed
US-20200392428-A1 ANTIFOAMING AGENT AND METHOD FOR MANUFACTURING ANTIFOAMING AGENT SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-12-17 US disclosed
US-10836981-B2 Anti-foam compositions comprising an organopolysiloxane with adjacent hydrolysable groups THE PROCTER & GAMBLE COMPANY (US) 2020-11-17 US disclosed
EP-3708232-A1 ANTIFOAMING AGENT AND METHOD FOR MANUFACTURING ANTIFOAMING AGENT Shin-Etsu Chemical Co., Ltd. (JP) 2020-09-16 EP disclosed
EP-3707231-A1 ANTI-FOAM COMPOSITIONS The Procter and Gamble Company (US) 2020-09-16 EP disclosed
US-20190144783-A1 ANTI-FOAM COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2019-05-16 US disclosed
US-8895565-B2 Heterocyclic compound and use of the same NISHIO TETSUYA (JP) 2014-11-25 US disclosed
US-20110319618-A1 HETEROCYCLIC COMPOUND AND USE OF THE SAME NISHIO TETSUYA (JP) 2011-12-29 US disclosed
US-7566683-B2 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-07-28 US disclosed
US-20070049495-A1 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-01 US disclosed
US-7037880-B2 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-05-02 US disclosed
US-20030216394-A1 Etylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-20 US disclosed
EP-1360901-A1 2,3-cyclic substituted derivatives of 3-hydroxyacrolein and 3-hydroxyacrylic acid as pesticides NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2003-11-12 EP disclosed
US-RE38188-E1 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-15 US disclosed
EP-0913392-B1 ETHYLENE DERIVATIVES AND PEST CONTROLLING AGENTS NISSAN CHEMICAL IND LTD (JP) 2003-07-02 EP disclosed
US-6462049-B1 LOW TOXICITY AND PERSISTENT INSECTICIDES AND FUNGICIDES; PREVENTING ATTACHMENT OF AQUATIC ORGANISMS; ECOSYSTEM FRIENDLY; NONPOLLUTING NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-10-08 US disclosed
US-6063734-A AGRICULTURAL CHEMICALS, AGENTS FOR PREVENTING ATTACHMENT OF AQUATIC ORGANISMS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-16 US disclosed
EP-0913392-A1 ETHYLENE DERIVATIVES AND PEST CONTROLLING AGENTS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-05-06 EP 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 (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-20110319618-A1 HETEROCYCLIC COMPOUND AND USE OF THE SAME CYP2D6, CYP2B6, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALOX5 3191/4885PTGS1 3006/4885PTGS2 3097/4885
US-20030216394-A1 Etylene derivatives and pesticides containing said derivatives DDT, ECE1, EBPL ALOX5 1107/4885PTGS1 625/4885PTGS2 1295/4885
US-20070049495-A1 Ethylene derivatives and pesticides containing said derivatives DDT, ECE1, EBPL ALOX5 1845/4885PTGS1 641/4885PTGS2 1379/4885

“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.