SCHEMBL5574091

SCHEMBL5574091

COc1ccc(C(C)c2cc(OC)c(OC)c(OC)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 8/20 0.51
TUBB4A P04350 7/20 0.51
TUBB P07437 7/20 0.51
TUBA3C P0DPH7 7/20 0.51
TUBA1B P68363 7/20 0.51
TUBA4A P68366 7/20 0.51
TUBB4B P68371 7/20 0.51
TUBB3 Q13509 7/20 0.51
TUBB2A Q13885 7/20 0.51
TUBB8 Q3ZCM7 7/20 0.51
TUBA3E Q6PEY2 7/20 0.51
TUBA1A Q71U36 7/20 0.51
TUBA1C Q9BQE3 7/20 0.51
TUBB6 Q9BUF5 7/20 0.51
TUBB2B Q9BVA1 7/20 0.51
POLB P06746 2/20 0.44
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL9828544 0.86 ACHE (0.54) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9243118 0.85 ACHE (0.52) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL15232928 0.84 CA1 (0.52) CYP1A2ACHEMEN1KMT2AALDH1A1
SCHEMBL9239785 0.84 ESR1 (0.57) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11293247 0.83 CA1 (0.57) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL834546 0.82 CA1 (0.61) CYP1A2GAAACHEMEN1KMT2A
SCHEMBL12574042 0.81 PKM (0.42) TUBB1CYP1A2ACHEALDH1A1L3MBTL1
SCHEMBL9245685 0.81 TUBB4A (0.55) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29062481 0.80 ALDH1A1 (0.48) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12634268 0.80 TUBB4A (0.58) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114573490-A diaryl-2H-aziridines and diaryl aziridines compounds, preparation method and application thereof 复旦大学 2022-06-03 CN disclosed
CN-110526805-A A kind of fluorine substituted diphenylamine ethane derivative and preparation method and application SHANGHAI INST TECH 2019-12-03 CN disclosed
US-20110160228-A1 DIHYDRO-ISO-CA-4 AND ANALOGUES: POTENT CYTOTOXICS, INHIBITORS OF TUBULIN POLYMERIZATION CENTRE NATIONAL DE LA RECHERCHE SCIENRIFIQUE (CNRS) 2011-06-30 US disclosed
WO-2009147217-A1 DIHYDRO-ISO-CA-4 AND ANALOGUES: POTENT CYTOTOXICS, INHIBITORS OF TUBULIN POLYMERIZATION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-12-10 WO disclosed
EP-1802560-A2 HALOCOMBSTATINS AND METHODS OF SYNTHESIS THEREOF Arizona Board Regents, a body corporate of the State of Arizona, acting for and on behalf of Arizona State University (US) 2007-07-04 EP disclosed
EP-1438281-A4 FUNCTIONALIZED STILBENE DERIVATIVES AS IMPROVED VASCULAR TARGETING AGENTS OXIGENE INC (US) 2006-04-26 EP disclosed
WO-2006036743-A2 HALOCOMBSTATINS AND METHODS OF SYNTHESIS THEREOF ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2006-04-06 WO disclosed
EP-1438281-A2 FUNCTIONALIZED STILBENE DERIVATIVES AS IMPROVED VASCULAR TARGETING AGENTS Oxigene, Inc. (US) 2004-07-21 EP disclosed
WO-2003035008-A2 FUNCTIONALIZED STILBENE DERIVATIVES AS IMPROVED VASCULAR TARGETING AGENTS OXIGENE, INC. (US) 2003-05-01 WO disclosed
EP-0641301-A1 STILBENE DERIVATIVES AS ANTICANCER AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-03-08 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-20110160228-A1 DIHYDRO-ISO-CA-4 AND ANALOGUES: POTENT CYTOTOXICS, INHIBITORS OF TUBULIN POLYMERIZATION TUBB4A, TUBA4A, TUBGCP4 TUBB1 8/4885TUBB4A 1/4885TUBB 10/4885

“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.