SCHEMBL417161

SCHEMBL417161

COC(=O)C(C(=O)O)=C(C)c1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.53
CA2 P00918 6/20 0.53
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
CYP19A1 P11511 2/20 0.50
PLK1 P53350 1/20 0.49
MAPT P10636 1/20 0.47
PARP1 P09874 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
PARP4 Q9UKK3 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
RAB9A P51151 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL417437 0.84 TSHR (0.50) CES2CES1CYP19A1MAPTSMN1; SMN2
SCHEMBL6652179 0.83 CA1 (0.56) CA1CA2CES2CES1CYP19A1
SCHEMBL6652176 0.83 CA1 (0.56) CA1CA2CES2CES1CYP19A1
SCHEMBL10617986 0.82 CA1 (0.59) CA1CA2CES2CES1PLK1
SCHEMBL6049096 0.82 CA1 (0.59) CA1CA2CES2CES1PLK1
SCHEMBL6653882 0.80 CA1 (0.63) CA1CA2CES2CES1CYP19A1
SCHEMBL6653891 0.80 CA1 (0.63) CA1CA2CES2CES1CYP19A1
SCHEMBL6653888 0.80 CA1 (0.63) CA1CA2CES2CES1CYP19A1
SCHEMBL5325112 0.78 CA1 (0.59) CA1CA2CES2CES1PLK1
SCHEMBL17736157 0.77 CA1 (0.50) CA1CA2CES2CES1PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303608-A1 DITHIOLENE METAL COMPLEXES BASF SCHWEIZ AG (CH) 2023-09-28 US disclosed
US-20230295439-A1 NAPHTHALOCYANINE AND PHTHALOCYANINE PARTICLES BASF SE (DE) 2023-09-21 US disclosed
EP-3697835-A1 FLAME-RETARDANT AND COLOR-STABLE POLYAMIDE MOLDING COMPOUNDS Clariant Plastics & Coatings Ltd (CH) 2020-08-26 EP disclosed
WO-2019076688-A1 FLAME-RETARDANT AND COLOR-STABLE POLYAMIDE MOLDING COMPOUNDS CLARIANT PLASTICS & COATINGS LTD (CH) 2019-04-25 WO disclosed
US-9232785-B2 Method for reducing sunburn damage in plants BASF SE (DE) 2016-01-12 US disclosed
US-8748347-B2 Method for combating harmful fungi BASF SE (DE) 2014-06-10 US disclosed
US-20120083497-A1 Method for Combating Harmful Fungi BASF SE (DE) 2012-04-05 US disclosed
EP-2418944-A2 METHOD FOR COMBATING HARMFUL FUNGI BASF SE (DE) 2012-02-22 EP disclosed
EP-2413691-A2 METHOD FOR REDUCING SUNBURN DAMAGE IN PLANTS BASF SE (DE) 2012-02-08 EP disclosed
US-20120017503-A1 METHOD FOR REDUCING SUNBURN DAMAGE IN PLANTS BASF SE (DE) 2012-01-26 US disclosed
EP-1743928-A1 SEALING MATERIAL COMPOSITION KANEKA CORPORATION (JP) 2007-01-17 EP disclosed
EP-1689799-A1 STABILIZATION OF POLYETHER POLYOLS, POLYESTER POLYOLS AND POLYURETHANES Ciba SC Holding AG (CH) 2006-08-16 EP disclosed
WO-2005054328-A1 STABILIZATION OF POLYETHER POLYOLS, POLYESTER POLYOLS AND POLYURETHANES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-06-16 WO disclosed
EP-1392779-A1 FLUORINATED-PHOTOINITIATORS IN DUAL CURE RESINS Ciba SC Holding AG (CH) 2004-03-03 EP disclosed
US-20030035917-A1 Image making medium HYMAN SYDNEY (US) 2003-02-20 US disclosed
WO-2002040602-A1 FLUORINATED-PHOTOINITIATORS IN DUAL CURE RESINS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-05-23 WO disclosed
US-4798822-A PHOTOSTABILIZERS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1989-01-17 US disclosed
US-4661594-A PHOTODEGRADATION INHIBITION CIBA-GEIGY CORPORATION (US) 1987-04-28 US disclosed
US-4525504-A 1,4-CYCLOHEXANDEICARBOXYLIC ACID AND 2,2,4,4-TETRAMETHYL-1,3-CYCLOBUTANEDIOL, UV AND HINDERED AMINE STABILIZERS EASTMAN KODAK COMPANY (US) 1985-06-25 US disclosed
US-4524165-A 1,4-CYCLOHEXANEDICARBOXYLIC ACID AND 1,4-CYCLOHEXANE DIOL MONOMERS; POLYALKYLENE GLCOLS; STABILIZER MIXTURE EASTMAN KODAK COMPANY (US) 1985-06-18 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 (4 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-20230303608-A1 DITHIOLENE METAL COMPLEXES TST, C1S, F12 CA1 3705/4885CA2 3981/4885CES2 4719/4885
US-20230295439-A1 NAPHTHALOCYANINE AND PHTHALOCYANINE PARTICLES IK, NRP1, LCP1 CA1 3405/4885CA2 3418/4885CES2 3593/4885
US-20120017503-A1 METHOD FOR REDUCING SUNBURN DAMAGE IN PLANTS UNG, ERCC5, ERCC4 CA1 4299/4885CA2 1862/4885CES2 1204/4885
US-20120083497-A1 Method for Combating Harmful Fungi BROX, CRY1, GUSB CA1 1580/4885CA2 1156/4885CES2 3118/4885

“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.