SCHEMBL4125002

SCHEMBL4125002

C=CCc1c(O)ccc2c(C)noc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.46
ERN1 O75460 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 3/20 0.36
GLA P06280 2/20 0.36
HTT P42858 1/20 0.36
NLRP3 Q96P20 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA9 Q16790 1/20 0.34
XDH P47989 1/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 4/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
ALDH1A1 P00352 2/20 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
SCHEMBL4127394 0.81 ALDH1A1 (0.34) ERN1ESR1ESR2MEN1KMT2A
SCHEMBL13596069 0.79 CYP1A2 (0.34) MEN1KMT2AKDM4EGLAHTT
SCHEMBL3955829 0.79 ALDH1A1 (0.50) SRD5A1MEN1KMT2AKDM4EHTT
SCHEMBL13596053 0.79 CYP1A2 (0.34) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL4133035 0.79 GABRA1 (0.40) ERN1ESR1ESR2MEN1KMT2A
SCHEMBL1400579 0.78 PPARD (0.39) ESR1ESR2KMT2AKDM4EGLA
SCHEMBL7038199 0.77 SRD5A1 (0.42) SRD5A1PPARGPPARD
SCHEMBL4133383 0.77 ALDH1A1 (0.40) SRD5A1MEN1KMT2AKDM4EHTT
SCHEMBL4114628 0.74 BRD4 (0.36) MEN1KMT2AL3MBTL1GAAMAPT
SCHEMBL13966099 0.74 ESR1 (0.33) ERN1ESR1ESR2KDM4EGLA

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
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 SRD5A1 362/4885ERN1 1718/4885ESR1 412/4885

“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.