SCHEMBL3846147

SCHEMBL3846147

C/[C]=C(/C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.44
CES1 P23141 4/20 0.44
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
DAO P14920 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
ESR1 P03372 1/20 0.38
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
F12 P00748 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
PKM P14618 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL9194201 1.00 CES2 (0.44) CES2CES1TSHRALDH1A1DAO
SCHEMBL701017 1.00 CES2 (0.44) CES2CES1TSHRALDH1A1DAO
SCHEMBL28126867 0.78 CES2 (0.44) CES2CES1TSHRALDH1A1DAO
SCHEMBL15656328 0.76 CES2 (0.42) CES2CES1TSHRALDH1A1DAO
SCHEMBL2458795 0.76 CES2 (0.42) CES2CES1TSHRALDH1A1DAO
SCHEMBL23728241 0.76 ESR1 (0.48) TSHRALDH1A1ESR1MAPTLMNA
SCHEMBL23728243 0.76 ESR1 (0.48) TSHRALDH1A1ESR1MAPTLMNA
SCHEMBL5828005 0.76 CES1 (0.48) CES2CES1TSHRALDH1A1DAO
SCHEMBL28170573 0.76 CES2 (0.42) CES2CES1TSHRALDH1A1DAO
SCHEMBL3841892 0.74 CES1 (0.41) CES2CES1TSHRALDH1A1DAO

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0047109-B1 RHODANINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND ALDOSE REDUCTASE INHIBITOR CONTAINING THE RHODANINE DERIVATIVES AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1985-01-02 EP claimed
EP-0047109-A1 Rhodanine derivatives, process for their preparation, and aldose reductase inhibitor containing the rhodanine derivatives as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 1982-03-10 EP claimed
CN-101689411-A Organic insulating material, varnish for organic insulating film using the same, organic insulating film, and semiconductor device SUMITOMO BAKELITE CO 2010-03-31 CN disclosed
US-20090318610-A1 ORGANIC INSULATING MATERIALS, VARNISHES FOR ORGANIC INSULATING FILM EMPLOYING THEM, ORGANIC INSULATING FILMS AND SEMICONDUCTOR DEVICES SUMITOMO BAKELITE CO., LTD (JP) 2009-12-24 US disclosed
EP-2117009-A1 ORGANIC INSULATING MATERIAL, VARNISH FOR ORGANIC INSULATING FILM USING THE SAME, ORGANIC INSULATING FILM AND SEMICONDUCTOR DEVICE Sumitomo Bakelite Co., Ltd. (JP) 2009-11-11 EP disclosed
US-20050032858-A1 Novel heterocyclic compound and anti-inflamatory agent NIPPON SODA CO., LTD. (JP) 2005-02-10 US disclosed
EP-1435353-A1 NOVEL HETEROCYCLIC COMPOUND AND ANTI-INFLAMMATORY AGENT NIPPON SODA CO., LTD. (JP) 2004-07-07 EP disclosed
EP-0582926-B1 Piperazin-2,3-diones as plant growth regulators BASF AG (DE) 1998-12-23 EP disclosed
US-5326743-A Piperazine-2,3-diones as plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1994-07-05 US disclosed
EP-0469423-B1 Oxalyl-bishydroxamic acid derivatives, their preparation and plant growth regulating agents containing them BASF AG (DE) 1994-06-15 EP disclosed
EP-0582926-A1 Piperazin-2,3-diones as plant growth regulators BASF Aktiengesellschaft (DE) 1994-02-16 EP disclosed
EP-0469423-A1 Oxalyl-bishydroxamic acid derivatives, their preparation and plant growth regulating agents containing them BASF Aktiengesellschaft (DE) 1992-02-05 EP disclosed
US-4791126-A Rhodanine derivatives, process for their preparation, and aldose reductase inhibitor containing the rhodanine derivatives as active ingredients ONO PHARMACEUTICAL CO., LTD. (JP) 1988-12-13 US disclosed
US-4464382-A Rhodanine derivatives, process for their preparation, and aldose reductase inhibitor containing the rhodanine derivatives as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 1984-08-07 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-20050032858-A1 Novel heterocyclic compound and anti-inflamatory agent TLR5, IRF3, IL4 CES2 4215/4885CES1 4318/4885TSHR 4257/4885

“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.