SCHEMBL17155697

SCHEMBL17155697

COc1ccc(-c2sc3cc(OC)ccc3c2Oc2ccc(OCCBr)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.63
TUBB P07437 2/20 0.63
TUBA3C P0DPH7 2/20 0.63
TUBA1B P68363 2/20 0.63
TUBA4A P68366 2/20 0.63
TUBB4B P68371 2/20 0.63
TUBB3 Q13509 2/20 0.63
TUBB2A Q13885 2/20 0.63
TUBB8 Q3ZCM7 2/20 0.63
TUBA3E Q6PEY2 2/20 0.63
TUBA1A Q71U36 2/20 0.63
TUBA1C Q9BQE3 2/20 0.63
TUBB6 Q9BUF5 2/20 0.63
TUBB2B Q9BVA1 2/20 0.63
TUBB1 Q9H4B7 2/20 0.63
ESR1 P03372 17/20 0.58
ESR2 Q92731 14/20 0.58

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
SCHEMBL7106095 0.90 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17154275 0.89 ESR1 (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7101787 0.88 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL7447949 0.85 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL7976534 0.85 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15953834 0.84 TUBB4A (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7106743 0.83 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21780857 0.82 TUBB4A (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7101962 0.82 ITGA4 (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7457759 0.82 ESR1 (0.85) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3192795-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS The Board of Trustees of the University of Illionis (US) 2017-07-19 EP disclosed
US-20170114052-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2017-04-27 US disclosed
US-20150284357-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-08 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-20150284357-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS HSD17B11, CYP19A1, ESR1 TUBB4A 1478/4885TUBB 1367/4885TUBA3C 1319/4885
US-20170114052-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS HSD17B11, CYP19A1, ESR1 TUBB4A 1478/4885TUBB 1367/4885TUBA3C 1319/4885

“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.