SCHEMBL19610490

SCHEMBL19610490

CC(C)c1cc(-c2cc(C(C)C)c(CC(=O)O)c(C(C)C)c2)cc(C(C)C)c1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
THRA P10827 6/20 0.38
THRB P10828 6/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
SRD5A2 P31213 1/20 0.37
AKR1B1 P15121 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
SOAT2 O75908 1/20 0.35
MYC P01106 1/20 0.35
SOAT1 P35610 1/20 0.35
MAP2K3 P46734 1/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL19610475 0.93 CA1 (0.61) CA1CA2GAATHRATHRB
SCHEMBL20699064 0.86 KDM4E (0.44) KDM4EGAAFABP3FABP4THRA
SCHEMBL8137246 0.86 FABP3 (0.57) KDM4EGAAFABP3FABP4THRA
SCHEMBL20698934 0.85 AURKA (0.44) KDM4EGAATHRATHRBMAPT
SCHEMBL19475246 0.84 GABRA1 (0.50) KDM4EGAAFABP3FABP4THRA
SCHEMBL20681232 0.84 GABRA1 (0.50) KDM4EGAAFABP3FABP4THRA
SCHEMBL19475203 0.84 NLRP3 (0.41) KDM4EGAAFABP3FABP4THRA
SCHEMBL20698932 0.84 LMNA (0.42) THRATHRBPOLBAKR1B1MEN1
SCHEMBL30791048 0.84 ACMSD (0.44) KDM4EGAAALDH1A1
SCHEMBL20681207 0.84 ACMSD (0.44) KDM4EGAAALDH1A1

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-3246022-A1 THE USE OF DIPHENOL IN PREPARATION OF MEDICINES FOR PREVENTION AND TREATMENT OF CEREBRAL ISCHEMIA Xi'an Libang Pharmaceutical Co., Ltd (CN) 2017-11-22 EP claimed
US-20200179302-A1 USE OF DIPHENOL IN PREPARATION OF MEDICINES FOR PREVENTION AND TREATMENT OF CEREBRAL ISCHEMIA XI'AN LIBANG PHARMACEUTICAL CO., LTD (CN) 2020-06-11 US disclosed
US-20180185299-A1 THE USE OF DIPHENOL IN PREPARATION OF MEDICINES FOR PREVENTION AND TREATMENT OF CEREBRAL ISCHEMIA XI'AN LIBANG PHARMACEUTICAL CO., LTD (CN) 2018-07-05 US disclosed
EP-3246022-A1 THE USE OF DIPHENOL IN PREPARATION OF MEDICINES FOR PREVENTION AND TREATMENT OF CEREBRAL ISCHEMIA Xi'an Libang Pharmaceutical Co., Ltd (CN) 2017-11-22 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 (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-20200179302-A1 USE OF DIPHENOL IN PREPARATION OF MEDICINES FOR PREVENTION AND TREATMENT OF CEREBRAL ISCHEMIA PTGER3, PTGES3, CYP24A1 CA1 231/4885CA2 333/4885KDM4E 2139/4885
US-20180185299-A1 THE USE OF DIPHENOL IN PREPARATION OF MEDICINES FOR PREVENTION AND TREATMENT OF CEREBRAL ISCHEMIA PTGER3, CYP24A1, PTGES3 CA1 171/4885CA2 279/4885KDM4E 1841/4885

“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.