SCHEMBL1899355

SCHEMBL1899355

CSc1ccccc1-c1ccccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
MYC P01106 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX12 P18054 1/20 0.49
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
MAPK1 P28482 1/20 0.45
MEN1 O00255 1/20 0.45
FOLH1 Q04609 1/20 0.45

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
SCHEMBL709788 0.84 POLB (0.68) POLBCA12CA1CA2CA4
SCHEMBL29391544 0.84 POLB (0.68) POLBCA12CA1CA2CA4
SCHEMBL9683950 0.83 AR (0.51) POLBCA12CA1CA2CA4
SCHEMBL5613062 0.83 BCAT2 (0.53) ALDH1A1GAAKMT2AMEN1KDM4E
Ammonia Solution, Strong SCHEMBL28040603 0.82 POLB (0.65) POLBCA12CA1CA2CA4
Hydrochloric Acid SCHEMBL6682455 0.82 POLB (0.65) POLBCA12CA1CA2CA4
SCHEMBL28409820 0.82 POLB (0.65) POLBCA12CA1CA2CA4
SCHEMBL36145 0.81 ALDH1A1 (0.72) POLBCA12CA1CA2CA4
SCHEMBL30028907 0.81 ALDH1A1 (0.72) POLBCA12CA1CA2CA4
Acetic Acid SCHEMBL28062626 0.79 ALDH1A1 (0.62) CA12CA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496549-B1 NEW, NON-CRYSTALLISING METHACRYLATE, ITS MANUFACTURE AND APPLICATION BAYER IP GMBH (DE) 2014-10-08 EP disclosed
EP-2496549-A2 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF Bayer MaterialScience AG (DE) 2012-09-12 EP disclosed
US-20120219885-A1 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-08-30 US disclosed
EP-2423192-A1 METAL COMPLEX HAVING AROMATIC LIGAND THAT CONTAINS NITROGEN ATOM Sumitomo Chemical Company, Limited (JP) 2012-02-29 EP disclosed
US-20120041203-A1 METAL COMPLEX HAVING AROMATIC RING LIGAND CONTAINING NITROGEN ATOM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120041203-A1 METAL COMPLEX HAVING AROMATIC RING LIGAND CONTAINING NITROGEN ATOM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20110309304-A1 LUMINESCENT SILVER COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20110309304-A1 LUMINESCENT SILVER COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-22 US disclosed
WO-2011152358-A1 MEMBRANE CONTAINING SILVER COMPLEX 住友化学株式会社 (JP) 2011-12-08 WO disclosed
EP-2360162-A1 LUMINESCENT SILVER COMPLEXES Sumitomo Chemical Company, Limited (JP) 2011-08-24 EP disclosed
WO-2011054818-A2 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF BAYER MATERIALSCIENCE AG (DE) 2011-05-12 WO 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-20120041203-A1 METAL COMPLEX HAVING AROMATIC RING LIGAND CONTAINING NITROGEN ATOM MICA, CD4, CLTC POLB 2891/4885CA12 1989/4885CA1 639/4885
US-20120219885-A1 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF MEP1A, MMAB, RHOA POLB 3707/4885CA12 2062/4885CA1 1752/4885
US-20110309304-A1 LUMINESCENT SILVER COMPLEX SOD1, AS3MT, GLO1 POLB 942/4885CA12 693/4885CA1 1030/4885

“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.