SCHEMBL125754

SCHEMBL125754

C=C(C)C(=O)OCC(COC(=O)Nc1cccc(SC)c1)OC(=O)c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ POLB P06746 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ ADRB2 P07550 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL123521 0.93 ADRB2 (0.41) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL12018017 0.89 F2R (0.45) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL12018020 0.87 MEN1 (0.40) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL12018026 0.83 ALDH1A1 (0.51) KMT2APOLBSMN1; SMN2NPC1ALDH1A1
SCHEMBL822783 0.83 ADRB2 (0.47) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL12018018 0.81 F2R (0.42) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL12018019 0.80 MEN1 (0.40) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL125755 0.79 ALDH1A1 (0.39) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL16152513 0.78 MAPT (0.41) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL172229 0.78 ADRB2 (0.45) MAPTMEN1KMT2APOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9454130-B2 Photopolymer formulations having the adjustable mechanical modulus GUV COVESTRO DEUTSCHLAND AG (DE) 2016-09-27 — — US disclosed
US-9454130-B2 Photopolymer formulations having the adjustable mechanical modulus GUV COVESTRO DEUTSCHLAND AG (DE) 2016-09-27 — — US disclosed
US-9454130-B2 Photopolymer formulations having the adjustable mechanical modulus GUV COVESTRO DEUTSCHLAND AG (DE) 2016-09-27 — — US disclosed
US-20150125784-A1 PHOTOPOLYMER FORMULATIONS HAVING THE ADJUSTABLE MECHANICAL MODULUS GUV COVESTRO DEUTSCHLAND AG (DE) 2015-05-07 — — US disclosed
US-20150125784-A1 PHOTOPOLYMER FORMULATIONS HAVING THE ADJUSTABLE MECHANICAL MODULUS GUV COVESTRO DEUTSCHLAND AG (DE) 2015-05-07 — — US disclosed
US-20150125784-A1 PHOTOPOLYMER FORMULATIONS HAVING THE ADJUSTABLE MECHANICAL MODULUS GUV COVESTRO DEUTSCHLAND AG (DE) 2015-05-07 — — US disclosed
US-8921012-B2 Photopolymer formulations having the adjustable mechanical modulus GUV BAYER MATERIALSCIENCE AG (DE) 2014-12-30 — — US disclosed
US-8921012-B2 Photopolymer formulations having the adjustable mechanical modulus GUV BAYER MATERIALSCIENCE AG (DE) 2014-12-30 — — US disclosed
US-8921012-B2 Photopolymer formulations having the adjustable mechanical modulus GUV BAYER MATERIALSCIENCE AG (DE) 2014-12-30 — — US disclosed
EP-2496549-B1 NEW, NON-CRYSTALLISING METHACRYLATE, ITS MANUFACTURE AND APPLICATION BAYER IP GMBH (DE) 2014-10-08 — — EP disclosed
US-20120219885-A1 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-08-30 — — US disclosed
US-20120219884-A1 PHOTOPOLYMER FORMULATIONS HAVING THE ADJUSTABLE MECHANICAL MODULUS GUV BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-08-30 — — US disclosed
US-20120219884-A1 PHOTOPOLYMER FORMULATIONS HAVING THE ADJUSTABLE MECHANICAL MODULUS GUV BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-08-30 — — US disclosed
US-20120219884-A1 PHOTOPOLYMER FORMULATIONS HAVING THE ADJUSTABLE MECHANICAL MODULUS GUV BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-08-30 — — US disclosed
EP-2317511-B1 Photopolymer formulations with adjustable mechanical module Guv BAYER MATERIALSCIENCE AG (DE) 2012-03-07 — — EP disclosed
WO-2011054749-A1 PHOTOPOLYMER FORMULATIONS HAVING THE ADJUSTABLE MECHANICAL MODULUS GUV BAYER MATERIALSCIENCE AG (DE) 2011-05-12 — — WO disclosed
EP-2317511-A1 Photopolymer formulations with adjustable mechanical module Guv Bayer MaterialScience AG (DE) 2011-05-04 — — 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-20120219885-A1 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF MEP1A, MMAB, RHOA MAPT 299/4885MEN1 157/4885KMT2A 1048/4885

“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.

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