SCHEMBL10189703

SCHEMBL10189703

COc1ccc(-c2ccc(-c3[nH]nnc3-c3cc(C)c(C)c(OC)c3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 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
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL10189728 0.99 SMPD3 (0.41) SMPD3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL411907 0.91 GSK3A (0.43) TUBB1DYRK1ADYRK1BKMT2AKDM4E
SCHEMBL10189705 0.89 S1PR1 (0.38) PDGFRBPDGFRACCNB2CDK1CCNB1
SCHEMBL10189699 0.88 ALDH1A1 (0.35) SMPD3KDM4EALDH1A1PDGFRBPDGFRA
SCHEMBL10189702 0.87 CHEK1 (0.38) KMT2AKDM4EALDH1A1HSD17B10CCNB2
SCHEMBL10189708 0.86 S1PR1 (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL411388 0.85 TUBB4A (0.54) SMPD3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10189749 0.85 TEK (0.34) SMPD3ALDH1A1CCNB2CDK1CCNB1
SCHEMBL10189723 0.85 FYN (0.39) SMPD3ALDH1A1MAPTTP53
SCHEMBL10189725 0.85 TP53 (0.34) SMPD3TUBB4ATUBBTUBA3CTUBA1B

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-9175022-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2015-11-03 US disclosed
US-8501790-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-08-06 US disclosed
US-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-01-26 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-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 SMPD3 2411/4885TUBB4A 18/4885TUBB 8/4885

“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.