SCHEMBL16191990

SCHEMBL16191990

COC(=O)c1c(/C=C/c2ccc(OC)cc2)cc(OC)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.61
TUBB P07437 1/20 0.61
TUBA3C P0DPH7 1/20 0.61
TUBA1B P68363 1/20 0.61
TUBA4A P68366 1/20 0.61
TUBB4B P68371 1/20 0.61
TUBB3 Q13509 1/20 0.61
TUBB2A Q13885 1/20 0.61
TUBB8 Q3ZCM7 1/20 0.61
TUBA3E Q6PEY2 1/20 0.61
TUBA1A Q71U36 1/20 0.61
TUBA1C Q9BQE3 1/20 0.61
TUBB6 Q9BUF5 1/20 0.61
TUBB2B Q9BVA1 1/20 0.61
TUBB1 Q9H4B7 1/20 0.61
PTGS2 P35354 15/20 0.61
CYP1A1 P04798 1/20 0.57
CYP1A2 P05177 1/20 0.57
NFE2L2 Q16236 1/20 0.57
CYP1B1 Q16678 1/20 0.57

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
SCHEMBL16191991 1.00 TUBB4A (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16191611 0.92 ABCG2 (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16191609 0.92 ABCG2 (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16192397 0.91 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16192166 0.91 NFE2L2 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16192168 0.91 NFE2L2 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16191546 0.90 MAPT (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16191542 0.90 MAPT (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30358578 0.90 MAPT (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16192135 0.88 CYP1A1 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
US-9359298-B2 Cajanine structure analogous compound, preparation method and use INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2016-06-07 US disclosed
US-20140371232-A1 CAJANINE STRUCTURE ANALOGOUS COMPOUND, PREPARATION METHOD AND USE INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2014-12-18 US disclosed
EP-2796442-A1 CAJANINE STRUCTURE ANALOGOUS COMPOUND, PREPARATION METHOD AND USE Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2014-10-29 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-20140371232-A1 CAJANINE STRUCTURE ANALOGOUS COMPOUND, PREPARATION METHOD AND USE ACHE, GAP43, LNPK TUBB4A 3640/4885TUBB 4108/4885TUBA3C 3428/4885

“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.