SCHEMBL17081238

SCHEMBL17081238

Oc1ccc(Br)c2ccc3ccccc3c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.57
▸ PTPN22 Q9Y2R2 1/20 0.50
▸ HSD17B10 Q99714 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ PAK1 Q13153 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ HPRT1 P00492 1/20 0.43
▸ ERN1 O75460 1/20 0.43
▸ TSHR P16473 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL2417105 0.84 PTPN22 (0.58) POLBPTPN22HSD17B10CYP1A2USP2
SCHEMBL10433287 0.77 ALDH1A1 (0.53) POLBPTPN22HSD17B10CYP1A2USP2
SCHEMBL19673698 0.77 PTPN22 (0.50) POLBPTPN22HSD17B10CYP1A2USP2
SCHEMBL11076291 0.76 HPRT1 (0.58) POLBPTPN22HSD17B10CYP1A2USP2
SCHEMBL16781267 0.76 HPRT1 (0.58) POLBHSD17B10CYP1A2USP2CYP2C9
SCHEMBL28412121 0.75 HPGD (0.39) POLBPTPN22HSD17B10CYP1A2MEN1
SCHEMBL17063693 0.75 HPGD (0.39) POLBPTPN22HSD17B10CYP1A2MEN1
SCHEMBL29589326 0.74 HSD17B10 (0.58) POLBPTPN22HSD17B10CYP1A2USP2
SCHEMBL18600578 0.74 HSD17B10 (0.58) POLBPTPN22HSD17B10CYP1A2USP2
1-Naphthol SCHEMBL6471543 0.74 CYP1A2 (0.68) POLBPTPN22HSD17B10CYP1A2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200303649-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-09-24 — — US disclosed
US-20200303649-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-09-24 — — US disclosed
US-10727413-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2020-07-28 — — US disclosed
US-10727413-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2020-07-28 — — US disclosed
CN-110698351-A Material for electronic devices 默克专利有限公司 2020-01-17 — — CN disclosed
EP-3114102-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-12-06 — — EP disclosed
EP-3114102-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-12-06 — — EP disclosed
US-20170018710-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-01-19 — — US disclosed
US-20170018710-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-01-19 — — US disclosed
US-20170018710-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-01-19 — — US disclosed
CN-106132910-A Material for electronic devices 默克专利有限公司 2016-11-16 — — CN disclosed
WO-2015131976-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-09-11 — — 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-10727413-B2 Materials for electronic devices EED, OCIAD2, JUND POLB 1588/4885PTPN22 4449/4885HSD17B10 1273/4885
US-20200303649-A1 MATERIALS FOR ELECTRONIC DEVICES EED, OCIAD2, JUND POLB 1588/4885PTPN22 4449/4885HSD17B10 1273/4885
US-20170018710-A1 MATERIALS FOR ELECTRONIC DEVICES EED, OCIAD2, JUND POLB 1588/4885PTPN22 4449/4885HSD17B10 1273/4885

“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