SCHEMBL123521

SCHEMBL123521

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.41
▸ ADRB1 P08588 2/20 0.41
▸ ADRB3 P13945 2/20 0.41
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ POLB P06746 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CNR2 P34972 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
SCHEMBL125754 0.93 MAPT (0.40) ADRB2ADRB1ADRB3MAPTMEN1
SCHEMBL12018018 0.89 F2R (0.42) MAPTMEN1KMT2APOLBTP53
SCHEMBL12018019 0.87 MEN1 (0.40) MAPTMEN1KMT2APOLBTP53
SCHEMBL12018025 0.83 ALDH1A1 (0.48) ADRB2ADRB1ADRB3MAPTKMT2A
SCHEMBL12018017 0.81 F2R (0.45) MAPTMEN1KMT2APOLBTP53
SCHEMBL16152513 0.81 MAPT (0.41) MAPTMEN1KMT2APOLBTP53
SCHEMBL12018020 0.80 MEN1 (0.40) MAPTMEN1KMT2APOLBTP53
SCHEMBL123522 0.79 ADRB2 (0.42) ADRB2ADRB1ADRB3MAPTMEN1
SCHEMBL822783 0.79 ADRB2 (0.47) ADRB2ADRB1ADRB3MAPTMEN1
SCHEMBL12018022 0.76 ALDH1A1 (0.45) ADRB2ADRB1ADRB3MAPTKMT2A

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
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-20120219885-A1 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF 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
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
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
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 ADRB2 4847/4885ADRB1 4870/4885ADRB3 4843/4885

“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.

Send feedback