Sugi Predict

Sugi Predict / Compounds / SCHEMBL4398750

SCHEMBL4398750

SCHEMBL4398750

O=C(Cl)C=C(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ CES1 P23141 4/20 0.46
▸ CES2 O00748 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ DAO P14920 1/20 0.46
▸ NAPRT Q6XQN6 1/20 0.46
▸ CA2 P00918 3/20 0.45
▸ CA12 O43570 2/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ TDP1 Q9NUW8 4/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ TRPA1 O75762 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42

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
SCHEMBL11224088 0.82 CES1 (0.62) ALDH1A1CES1CES2TSHRCA2
SCHEMBL11224077 0.82 CES1 (0.62) ALDH1A1CES1CES2TSHRCA2
SCHEMBL4238491 0.81 NFE2L2 (0.46) NFE2L2ALDH1A1CES1CES2TSHR
SCHEMBL4238493 0.81 NFE2L2 (0.46) NFE2L2ALDH1A1CES1CES2TSHR
SCHEMBL4238499 0.81 NFE2L2 (0.46) NFE2L2ALDH1A1CES1CES2TSHR
SCHEMBL28065922 0.80 CES1 (0.50) NFE2L2ALDH1A1CES1CES2TSHR
SCHEMBL63954 0.80 CES1 (0.50) NFE2L2ALDH1A1CES1CES2TSHR
SCHEMBL10905923 0.79 CES2 (0.52) ALDH1A1CES1CES2TSHRCA2
Hydrochloric Acid SCHEMBL4398755 0.78 NFE2L2 (0.48) NFE2L2ALDH1A1CES1CES2TSHR
SCHEMBL9550760 0.78 NFE2L2 (0.48) NFE2L2ALDH1A1CES1CES2TSHR

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
CN-110709733-A Multilayer polymer film and method of making same 沙特基础工业全球技术有限公司 2020-01-17 — — CN disclosed
WO-2019218433-A1 COMPOSITE BIONIC BONE MATERIAL OF GRAPHENE AND HYDROXYAPATITE AND PREPARATION METHOD THEREFOR 青岛大学附属医院 (CN) 2019-11-21 — — WO disclosed
CN-108421085-A graphene and hydroxyapatite composite bionic bone material and preparation method thereof 青岛大学附属医院 2018-08-21 — — CN disclosed
EP-1446390-B1 PHOTOCHROMIC OXAZINE COMPOUNDS AND METHODS FOR THEIR MANUFACTURE ESSILOR INT (FR) 2009-12-02 — — EP disclosed
EP-1446390-A2 PHOTOCHROMIC OXAZINE COMPOUNDS AND METHODS FOR THEIR MANUFACTURE ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2004-08-18 — — EP disclosed
EP-1106610-B1 Farnesyl transferase inhibiting 2-quinolone derivatives JANSSEN PHARMACEUTICA NV (BE) 2004-06-16 — — EP disclosed
US-6686466-B2 HEATING AN ISOCYANATE DERIVATIVE WITH A SYMMETRIC QUINONE IN PRESENCE OF TRIPHENYLARSEN OXIDE CATALYST TO FORM 2,2-DIPHENYL-PHENANTHRO (9,10)-2H-(1,4)-OXAZINE DERIVATIVES JOHNSON & JOHNSON VISION CARE, INC. 2004-02-03 — — US disclosed
US-20030125552-A1 Photochromic oxazine compounds and methods for their manufacture ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2003-07-03 — — US disclosed
WO-2003042195-A2 PHOTOCHROMIC OXAZINE COMPOUNDS AND METHODS FOR THEIR MANUFACTURE JOHNSON & JOHNSON VISION CARE, INC. (US) 2003-05-22 — — WO disclosed
EP-1019395-B1 FARNESYL TRANSFERASE INHIBITING 2-QUINOLONE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2002-01-30 — — EP disclosed
US-5968952-A ANTITUMOR AGENTS JANSSEN PHARMACEUTICA, N.V. (BE) 1999-10-19 — — US disclosed
US-5559109-A Method of treating a PAF-mediated pathology or for treating or preventing psoriasis, nephritis, asthma or shock by administering a PAF antagonist SANKKO COMPANY, LIMITED (JP) 1996-09-24 — — US disclosed
US-5556852-A PLATELET ACTIVATING FACTOR ANTAGONISTS SANKYO COMPANY, LIMITED (JP) 1996-09-17 — — US disclosed
EP-0395446-B1 N-acryloylpiperazine derivatives, their preparation and their use as paf antagonists SANKYO CO (JP) 1995-03-01 — — EP disclosed
US-5369106-A N-acryloylpiperazine derivatives, their preparation and their use of PAF antagonists SANKYO COMPANY, LIMITED (JP) 1994-11-29 — — US disclosed
US-5192766-A Platelet activating factor antagonist SANKYO COMPANY, LIMITED (JP) 1993-03-09 — — US disclosed
EP-0395446-A2 N-acryloylpiperazine derivatives, their preparation and their use as paf antagonists Sankyo Company Limited (JP) 1990-10-31 — — EP disclosed
US-4560785-A ANALGESICS, ANTIINFLAMMATORY, ANTIPYRETICS SS PHARMACEUTICAL CO., LTD. (JP) 1985-12-24 — — US disclosed
US-4410696-A Antitumor and immunosuppressive 4-carbamoylimidazolium-5-olate derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-10-18 — — US disclosed
EP-0075629-A1 Imidazole derivatives, their preparation, and their pharmaceutical compositions Sumitomo Chemical Industries Ltd. (JP) 1983-04-06 — — 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 (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-20030125552-A1 Photochromic oxazine compounds and methods for their manufacture PPOX, DHPS, ALDH1A2 NFE2L2 314/4885ALDH1A1 120/4885CES1 4060/4885

“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.