SCHEMBL12018012

SCHEMBL12018012

C=CC(=O)OCC(CO)OC(=O)c1ccccc1Br

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TSHR P16473 4/20 0.38
▸ HTT P42858 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PTPN2 P17706 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL14302947 0.84 CYP3A4 (0.36) TSHRCYP3A4THRBALDH1A1HSD17B10
SCHEMBL12018014 0.84 SCN1A (0.45) TSHRCYP3A4THRBKMT2ASMN1; SMN2
SCHEMBL12018015 0.82 ADRB2 (0.43) NPC1HPGDKMT2AALDH1A1GAA
SCHEMBL12019253 0.81 TSHR (0.40) RAB9ANPC1TSHRHTTHPGD
SCHEMBL13497084 0.79 ALDH1A1 (0.45) TSHRHPGDCYP3A4THRBKMT2A
SCHEMBL11205065 0.76 ALDH1A1 (0.44) TSHRHPGDCYP3A4THRBKMT2A
SCHEMBL3155745 0.76 ALDH1A1 (0.44) TSHRHPGDCYP3A4THRBKMT2A
SCHEMBL10168250 0.74 ALDH1A1 (0.45) TSHRHPGDCYP3A4THRBALDH1A1
SCHEMBL7925089 0.74 TSHR (0.50) TSHRCYP3A4ALDH1A1KDM4EHSD17B10
SCHEMBL707088 0.74 TSHR (0.53) TSHRCYP3A4ALDH1A1SMN1; SMN2HSD17B10

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 4 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-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-20120219885-A1 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-08-30 — — 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 (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 RAB9A 2969/4885NPC1 4492/4885TSHR 4836/4885

“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