SCHEMBL1889772

SCHEMBL1889772

COc1cc2c(OC)c(-c3c(C)cc4c(CCc5ccc(C)cc5)c(OC)c(OC)cc4c3OC)c(C)cc2c(CCc2ccc(C)cc2)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.43
TUBB P07437 4/20 0.43
TUBA3C P0DPH7 4/20 0.43
TUBA1B P68363 4/20 0.43
TUBA4A P68366 4/20 0.43
TUBB4B P68371 4/20 0.43
TUBB3 Q13509 4/20 0.43
TUBB2A Q13885 4/20 0.43
TUBB8 Q3ZCM7 4/20 0.43
TUBA3E Q6PEY2 4/20 0.43
TUBA1A Q71U36 4/20 0.43
TUBA1C Q9BQE3 4/20 0.43
TUBB6 Q9BUF5 4/20 0.43
TUBB2B Q9BVA1 4/20 0.43
TUBB1 Q9H4B7 4/20 0.43
CYP19A1 P11511 2/20 0.42
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
BCL2 P10415 1/20 0.36
BCL2L1 Q07817 1/20 0.36

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
SCHEMBL353840 0.89 BCL2 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2622282 0.78 PDE3B (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL353668 0.78 PDE4D (0.42) CYP19A1ALDH1A1LMNAKDM4EACHE
SCHEMBL353866 0.74 AKR1B1 (0.40) CYP19A1ACHE
SCHEMBL9189942 0.74 TUBB4A (0.73) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL353633 0.70 TDP1 (0.38) CYP19A1ALDH1A1KDM4EMAPT
SCHEMBL13917720 0.70 AKR1B1 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3472763 0.68 TAAR1 (0.58) ALDH1A1LMNABCL2BCL2L1MCL1
SCHEMBL353909 0.67 MEN1 (0.43) CYP19A1ALDH1A1LMNAKDM4EMAPT
SCHEMBL353813 0.66 AKR1B1 (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937193-B2 Apogossypolone derivatives as anticancer agents SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-01-20 US disclosed
US-20110112112-A1 APOGOSSYPOLONE DERIVATIVES AS ANTICANCER AGENTS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-05-12 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-20110112112-A1 APOGOSSYPOLONE DERIVATIVES AS ANTICANCER AGENTS CYP17A1, HSD17B7, CYP27A1 TUBB4A 2069/4885TUBB 2067/4885TUBA3C 2941/4885

“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.