SCHEMBL3740798

SCHEMBL3740798

C[Si](C)(C)N(CC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
KMT2A Q03164 4/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 2/20 0.37
CYP1A2 P05177 1/20 0.37
FABP5 Q01469 3/20 0.37
FABP7 O15540 2/20 0.37
MAPT P10636 1/20 0.36
IDO1 P14902 1/20 0.36
GPR3 P46089 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL2938537 0.82 POLB (0.37) HTR2AKMT2APOLBTSHRCYP1A2
SCHEMBL29129339 0.78 KMT2A (0.45) HTR2AKMT2APOLBTSHRCYP1A2
SCHEMBL5481836 0.75 HTR2A (0.47) HTR2AKMT2APOLBTSHRCYP1A2
SCHEMBL3660751 0.74 KMT2A (0.43) HTR2AKMT2APOLBTSHRCYP1A2
SCHEMBL6818503 0.73 ALDH1A1 (0.42) HTR2AKMT2APOLBTSHRCYP1A2
SCHEMBL18227243 0.71 KMT2A (0.36) HTR2AKMT2APOLBTSHRFABP5
SCHEMBL25373589 0.71 ALDH1A1 (0.41) HTR2AKMT2ATSHRCYP1A2FABP5
SCHEMBL16242267 0.71 KMT2A (0.40) HTR2AKMT2ATSHRCYP1A2FABP5
SCHEMBL5969982 0.71 FABP5 (0.49) KMT2AFABP5FABP7CA1CA2
SCHEMBL1639593 0.70 HTR2A (0.38) HTR2AKMT2APOLBTSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292163-A1 Antitumoral Compounds PHARMA MAR, S.A. (ES) 2010-11-18 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-20100292163-A1 Antitumoral Compounds TP53, XPO1, TOP2B HTR2A 4499/4885KMT2A 4262/4885POLB 980/4885

“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.