SCHEMBL19471990

SCHEMBL19471990

CC1=C[SH](C)C=C1c1c(-c2ccc(O)cc2)c2ccccc2n1C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
PTPN1 P18031 2/20 0.32
RORC P51449 1/20 0.32
KDM4E B2RXH2 2/20 0.32
RCE1 Q9Y256 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL1653307 0.75 MAPT (0.33) POLBPTPN1RORCESR1ESR2
SCHEMBL1651855 0.75 BRD4 (0.43)
SCHEMBL1652041 0.74 HSD11B1 (0.36) POLBPTPN1RORCKDM4EESR1
SCHEMBL11899808 0.74 RORC (0.34) POLBPTPN1RORCESR1ESR2
SCHEMBL11898999 0.73 POLB (0.35) POLBPTPN1KDM4EESR1ESR2
SCHEMBL1652989 0.73 PTPN1 (0.37) POLBPTPN1RORCKDM4EESR1
SCHEMBL11899039 0.72 PTPN1 (0.36) POLBPTPN1RORCKDM4EESR1
SCHEMBL22443315 0.70 AGTR1 (0.50) POLBKDM4ERCE1MAPTLMNA
SCHEMBL11899700 0.67 SMN1; SMN2 (0.34) POLBPTPN1RORCESR1ESR2
SCHEMBL1651741 0.66 ESR1 (0.38) PTPN1ESR1ESR2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10758496-B2 Estrogen receptor ligand treatment for neurodegenerative diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-09-01 US disclosed
US-20170304216-A1 ESTROGEN RECEPTOR LIGAND TREATMENT FOR NEURODEGENERATIVE DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-10-26 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 (2 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-20170304216-A1 ESTROGEN RECEPTOR LIGAND TREATMENT FOR NEURODEGENERATIVE DISEASES ESR2, ESRRG, ESR1 POLB 4079/4885PTPN1 3859/4885RORC 572/4885
US-10758496-B2 Estrogen receptor ligand treatment for neurodegenerative diseases ESR2, ESRRG, ESR1 POLB 4079/4885PTPN1 3859/4885RORC 572/4885

“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.