SCHEMBL14113164

SCHEMBL14113164

Cc1cc(=O)oc2c(CCCC(C)(C)[Si](C)(C)O)c(OS(=O)(=O)C(F)(F)F)ccc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 8/20 0.43
▸ ALPI P09923 6/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ TSHR P16473 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ KDM4E B2RXH2 7/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ HPGD P15428 3/20 0.39
▸ GAA P10253 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ FHIT P49789 1/20 0.37
▸ PAX8 Q06710 1/20 0.37

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
SCHEMBL4927376 0.85 ALPL (0.49) ALPLALPIHSD17B10TSHRCYP1A2
SCHEMBL4927116 0.82 ALPL (0.44) ALPLALPIHSD17B10TSHRCYP1A2
SCHEMBL4929441 0.79 ALPL (0.49) ALPLALPIHSD17B10TSHRCYP1A2
SCHEMBL4932401 0.78 ALPL (0.48) ALPLALPIHSD17B10TSHRCYP1A2
SCHEMBL13049101 0.65 HSD11B1 (0.31) —
SCHEMBL29209053 0.65 KDM4E (0.49) HSD17B10TSHRCYP1A2KDM4EMCL1
SCHEMBL1358798 0.65 KDM4E (0.72) ALPLALPIHSD17B10TSHRKDM4E
SCHEMBL9118927 0.64 NR1H2 (0.38) ALDH1A1HPGDKMT2ALMNA
SCHEMBL11066632 0.64 KDM4E (0.61) ALPIHSD17B10TSHRKDM4EMCL1
SCHEMBL6158795 0.63 HPGD (0.42) ALPLALPIHSD17B10TSHRCYP1A2

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-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 — — 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-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) MAOA, MAOB, COMT ALPL 1042/4885ALPI 2506/4885HSD17B10 336/4885

“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.

Send feedback