SCHEMBL20845237

SCHEMBL20845237

C1=C\c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccnc5)nc4)n3)cc2-c2ccccc2Sc2ccccc2-c2ccccc2/1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP2A6 P11509 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP11B1 P15538 2/20 0.36
▸ CYP11B2 P19099 2/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ HPGDS O60760 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ LDHA P00338 1/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL20845329 0.97 ALDH1A1 (0.38) CYP19A1ALDH1A1POLBMAPTTSHR
SCHEMBL20845246 0.95 CYP19A1 (0.43) CYP19A1ALDH1A1POLBMAPTTSHR
SCHEMBL20845330 0.92 CYP19A1 (0.42) CYP19A1ALDH1A1POLBMAPTTSHR
SCHEMBL20845327 0.91 ALDH1A1 (0.43) CYP19A1ALDH1A1POLBMAPTTSHR
SCHEMBL20845007 0.91 CYP19A1 (0.43) CYP19A1ALDH1A1POLBMAPTTSHR
SCHEMBL20845085 0.90 CYP2A6 (0.40) CYP19A1CYP2A6CYP3A4CYP11B1CYP11B2
SCHEMBL20845088 0.90 DHODH (0.34) CYP19A1ALDH1A1MAPTTSHRKDM4E
SCHEMBL20845340 0.89 GAA (0.34) CYP19A1ALDH1A1POLBMAPTTSHR
SCHEMBL20845326 0.89 CYP19A1 (0.41) CYP19A1ALDH1A1POLBMAPTTSHR
SCHEMBL20845002 0.89 CYP19A1 (0.41) CYP19A1ALDH1A1POLBMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190092745-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2019-03-28 — — 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-20190092745-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME SCO2, AOX1, ORC3 CYP19A1 380/4885ALDH1A1 981/4885POLB 1497/4885

“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