SCHEMBL893374

SCHEMBL893374

O=C1C=CC(=O)c2c1ccc1c2ccc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
CYP1A2 P05177 2/20 1.00
CYP2C9 P11712 2/20 1.00
CYP2C19 P33261 2/20 1.00
MEN1 O00255 2/20 1.00
USP2 O75604 2/20 1.00
TP53 P04637 2/20 1.00
HPGD P15428 2/20 1.00
MAPK1 P28482 2/20 1.00
KMT2A Q03164 2/20 1.00
LMNA P02545 1/20 1.00
CYP2D6 P10635 1/20 1.00
ALOX12 P18054 1/20 1.00
HIF1A Q16665 1/20 1.00
CDC25A P30304 5/20 0.57
CDC25C P30307 5/20 0.57
ARSA P15289 1/20 0.57
HPRT1 P00492 2/20 0.52
NQO1 P15559 1/20 0.49
PAX8 Q06710 1/20 0.48

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
SCHEMBL30702421 1.00 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL64776 0.90 ALDH1A1 (0.82) ALDH1A1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL33372528 0.90 ALDH1A1 (0.82) ALDH1A1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL23043820 0.81 ALDH1A1 (0.69) ALDH1A1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL3192410 0.81 ALDH1A1 (0.69) ALDH1A1CYP1A2CYP2C9CYP2C19MEN1
Phenanthrene SCHEMBL27811748 0.80 IDO1 (0.67) ALDH1A1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL22609991 0.78 CES1 (0.81) ALDH1A1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL29447251 0.78 ALDH1A1 (0.64) ALDH1A1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL2957612 0.78 ALDH1A1 (0.64) ALDH1A1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL6851988 0.77 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C9CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3864002-B1 ADDITION-FRAGMENTATION AGENT WITH PENDENT AMINE GROUPS 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-12-27 EP claimed
US-20220033345-A1 ADDITION-FRAGMENTATION AGENT WITH PENDENT AMINE GROUPS 3M INNOVATIVE PROPERTIES COMPANY 2022-02-03 US claimed
EP-3864002-A1 ADDITION-FRAGMENTATION AGENT WITH PENDENT AMINE GROUPS 3M Innovative Properties Company (US) 2021-08-18 EP claimed
EP-2855010-B1 GRAFT COPOLYMER FUNCTIONALIZED ARTICLE 3M INNOVATIVE PROPERTIES CO (US) 2017-12-27 EP claimed
US-20140234827-A1 SSAT mRNA TRANSLATION REPRESSION AND ACTIVATION TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-08-21 US claimed
WO-2013033597-A1 SSAT MRNA TRANSLATION REPRESSION AND ACTIVATION TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2013-03-07 WO claimed
US-20110224141-A1 METHODS AND RELATED COMPOSITIONS FOR THE TREATMENT OF CANCER STC.UNM (US) 2011-09-15 US claimed
US-20090303665-A1 SOLID ELECTROLYTIC CAPACITOR AND METHOD FOR PRODUCING SAME SHOWA DENKO K.K. (JP) 2009-12-10 US claimed
WO-2009148623-A2 METHODS AND RELATED COMPOSITIONS FOR THE TREATMENT OF CANCER STC.UNM (US) 2009-12-10 WO claimed
EP-0971382-B1 SOLID ELECTROLYTIC CAPACITOR AND PROCESS FOR THE PRODUCTION THEREOF SHOWA DENKO KK (JP) 2009-04-22 EP claimed
US-6867241-B2 Radiation-curable, cyanoacrylate-containing compositions HENKEL CORPORATION (US) 2005-03-15 US claimed
US-20040034116-A1 Luminescing and/or fluorescing radiation-curable, cyanoacrylate-containing compositions HENKEL LOCTITE CORPORATION 2004-02-19 US claimed
US-20030162857-A1 Radiation-curable, cyanoacrylate-containing compositions LOCTITE CORPORATION 2003-08-28 US claimed
WO-2003065841-A1 LUMINESCING AND/OR FLUORESCING RADIATION-CURABLE, CYANOACRYLATE-CONTAINING COMPOSITIONS HENKEL CORPORATION (US) 2003-08-14 WO claimed
WO-2003064483-A1 RADIATION-CURABLE, CYANOACRYLATE-CONTAINING COMPOSITIONS HENKEL CORPORATION (US) 2003-08-07 WO claimed
US-20020039274-A1 SOLID ELECTROLYTE LAYER COMPRISES A COMPOSITION CONTAINING A PI -ELECTRON CONJUGATE POLYMER AND/OR OTHER ELECTRICALLY CONDUCTING POLYMER, A CONDENSED HETEROPOLYCYCLIC POLYMER SHOWA DENKO K.K. 2002-04-04 US claimed
US-20020034060-A1 VALVE METAL HAVING MICROFINE PORES; DIELECTRIC FILM; LAMELLAR STRUCTURE; HEAT AND STRESS RESISTANCE; WATERPROOFING SHOWA DENKO K.K. 2002-03-21 US claimed
US-6351370-B1 Solid electrolytic capacitor and method for producing the same SHOWA DENKO K.K. (JP) 2002-02-26 US claimed
EP-0971382-A1 SOLID ELECTROLYTIC CAPACITOR AND PROCESS FOR THE PRODUCTION THEREOF Showa Denko K K (JP) 2000-01-12 EP claimed
US-5663029-A DEVELOPMENT OF LATENT IMAGE, TRANSFERRING TO FORM RECORDING SHEETS, COATING A SUBSTRATE USING POLYMERS XEROX CORPORATION (US) 1997-09-02 US claimed

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-20140234827-A1 SSAT mRNA TRANSLATION REPRESSION AND ACTIVATION RNMT, RNGTT, SRM ALDH1A1 1038/4885CYP1A2 4612/4885CYP2C9 4706/4885
US-20220033345-A1 ADDITION-FRAGMENTATION AGENT WITH PENDENT AMINE GROUPS PARP1, ETFA, PARP2 ALDH1A1 732/4885CYP1A2 306/4885CYP2C9 2830/4885

“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.