SCHEMBL5070987

SCHEMBL5070987

COc1cc(OC)c2ccn(C)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.50
ALDH1A1 P00352 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40

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
SCHEMBL26683724 0.81 ALDH1A1 (0.41) HTR6ALDH1A1CA2TUBB4ATUBB
SCHEMBL15297434 0.76 CYP2A6 (0.50) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16450036 0.75 TUBB4A (0.51) ALDH1A1CA12CA1CA2CA7
SCHEMBL28909272 0.74 TUBB4A (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3369230 0.74 TUBB4A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29989576 0.73 RHEB (0.62) HTR6ALDH1A1CA12CA1CA2
SCHEMBL347727 0.73 RHEB (0.62) HTR6ALDH1A1CA12CA1CA2
SCHEMBL28135466 0.72 HTR6 (0.42) HTR6L3MBTL1CYP19A1TNFRSF1A
SCHEMBL29037530 0.72 HTR6 (0.45) HTR6ALDH1A1CA12CA1CA2
SCHEMBL1137750 0.71 RHEB (0.55) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9428493-B2 Schweinfurthin analogues UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2016-08-30 US disclosed
US-20150045404-A1 SCHWEINFURTHIN ANALOGUES UNIVERSITY OF IOWA RESEARCH FOUNDATION 2015-02-12 US disclosed
US-7345180-B2 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2008-03-18 US disclosed
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2006-10-12 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 (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-20150045404-A1 SCHWEINFURTHIN ANALOGUES HRH4, HRH1, SUCNR1 HTR6 236/4885ALDH1A1 496/4885CA12 3653/4885
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV DPP4, DPP3, DPP7 HTR6 72/4885ALDH1A1 2457/4885CA12 897/4885

“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.