SCHEMBL13643390

SCHEMBL13643390

COc1cc(/C=C\c2ccccc2)cc(CO)c1CO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.57
▸ TUBB4A P04350 1/20 0.57
▸ TUBB P07437 1/20 0.57
▸ TUBA3C P0DPH7 1/20 0.57
▸ TUBA1B P68363 1/20 0.57
▸ TUBA4A P68366 1/20 0.57
▸ TUBB4B P68371 1/20 0.57
▸ TUBB3 Q13509 1/20 0.57
▸ TUBB2A Q13885 1/20 0.57
▸ TUBB8 Q3ZCM7 1/20 0.57
▸ TUBA3E Q6PEY2 1/20 0.57
▸ TUBA1A Q71U36 1/20 0.57
▸ TUBA1C Q9BQE3 1/20 0.57
▸ TUBB6 Q9BUF5 1/20 0.57
▸ TUBB2B Q9BVA1 1/20 0.57
▸ CYP1A1 P04798 2/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP1B1 Q16678 2/20 0.53
▸ MAPT P10636 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46

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
SCHEMBL17145749 0.87 MAPT (0.55) CYP1A1CYP1A2CYP1B1MAPTKDM4E
SCHEMBL13643403 0.84 ABL1 (0.56) TUBB1CYP1A2MAPTKDM4EMEN1
SCHEMBL15489591 0.82 TUBB1 (0.59) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL786868 0.81 TUBB1 (0.52) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12774233 0.81 TUBB1 (0.50) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10030788 0.81 TUBB1 (0.64) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13456507 0.81 APP (0.57) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17145738 0.81 MMP2 (0.54) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17145742 0.81 TUBB1 (0.50) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10030786 0.80 TUBB1 (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883809-B2 Isoxazole/isoxazoline/combretastatin linked dihydroquinazolinone hybrids as potential anticancer agents and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-11-11 — — US disclosed
US-20120283439-A1 ISOXAZOLE/ISOXAZOLINE/COMBRETASTATIN LINKED DIHYDROQUINAZOLINONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Redearch (IN) 2012-11-08 — — 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 (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-20120283439-A1 ISOXAZOLE/ISOXAZOLINE/COMBRETASTATIN LINKED DIHYDROQUINAZOLINONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF NDUFAF1, TOP1, COX4I1 TUBB1 107/4885TUBB4A 67/4885TUBB 161/4885

“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.

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