SCHEMBL16608257

SCHEMBL16608257

Clc1cccc(/C=C/c2ccccc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 6/20 0.61
KDM4E B2RXH2 5/20 0.61
ALDH1A1 P00352 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
HPGD P15428 3/20 0.61
RAB9A P51151 3/20 0.61
NPC1 O15118 2/20 0.61
PKM P14618 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
GRM5 P41594 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
TSHR P16473 1/20 0.61
NFKB1 P19838 1/20 0.61
CYP2C19 P33261 1/20 0.61
THPO P40225 1/20 0.61

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
SCHEMBL10665839 0.85 GRM4 (0.73) GRM4KDM4EALDH1A1MEN1KMT2A
SCHEMBL10665836 0.85 GRM4 (0.73) GRM4KDM4EALDH1A1MEN1KMT2A
SCHEMBL9000527 0.79 NFE2L2 (0.49) GRM4KDM4EALDH1A1MEN1KMT2A
SCHEMBL2641895 0.79 MAPT (0.57) GRM4KDM4EALDH1A1MEN1KMT2A
SCHEMBL2641899 0.79 MAPT (0.57) GRM4KDM4EALDH1A1MEN1KMT2A
SCHEMBL16608879 0.77 GRM4 (0.64) GRM4KDM4EALDH1A1MEN1KMT2A
SCHEMBL16597519 0.77 KDM4E (0.55) GRM4KDM4EALDH1A1MEN1KMT2A
SCHEMBL16597522 0.77 KDM4E (0.55) GRM4KDM4EALDH1A1MEN1KMT2A
SCHEMBL4542155 0.76 GRM4 (0.61) GRM4KDM4EALDH1A1MEN1KMT2A
SCHEMBL29510104 0.76 GRM4 (1.00) GRM4KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9868705-B2 Tetra-aryl cyclobutane inhibitors of androgen receptor action for the treatment of hormone refractory cancer THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-01-16 US disclosed
US-9868705-B2 Tetra-aryl cyclobutane inhibitors of androgen receptor action for the treatment of hormone refractory cancer THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-01-16 US disclosed
US-20160229811-A1 TETRA-ARYL CYCLOBUTANE INHIBITORS OF ANDROGEN RECEPTOR ACTION FOR THE TREATMENT OF HORMONE REFRACTORY CANCER DUKE UNIVERSITY 2016-08-11 US disclosed
US-20160229811-A1 TETRA-ARYL CYCLOBUTANE INHIBITORS OF ANDROGEN RECEPTOR ACTION FOR THE TREATMENT OF HORMONE REFRACTORY CANCER DUKE UNIVERSITY 2016-08-11 US disclosed
WO-2015048246-A1 TETRA-ARYL CYCLOBUTANE INHIBITORS OF ANDROGEN RECEPTOR ACTION FOR THE TREATMENT OF HORMONE REFRACTORY CANCER THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-04-02 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 (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-20160229811-A1 TETRA-ARYL CYCLOBUTANE INHIBITORS OF ANDROGEN RECEPTOR ACTION FOR THE TREATMENT OF HORMONE REFRACTORY CANCER AR, FSHR, ESRRB GRM4 1980/4885KDM4E 1583/4885ALDH1A1 2136/4885

“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.