SCHEMBL17695174

SCHEMBL17695174

Cc1cccc(C)c1C(=O)NCc1ccc2c(c1)CCO2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.69
▸ NPC1 O15118 2/20 0.59
▸ POLB P06746 1/20 0.59
▸ CHRM4 P08173 1/20 0.57
▸ MAPT P10636 1/20 0.53
▸ EGLN1 Q9GZT9 1/20 0.50
▸ ALDH2 P05091 2/20 0.49
▸ AURKA O14965 1/20 0.48
▸ RPS6KB1 P23443 1/20 0.48
▸ FABP3 P05413 1/20 0.47
▸ FABP4 P15090 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ CRHBP P24387 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45

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
SCHEMBL10107719 0.85 ALDH2 (0.68) RAB9ANPC1POLBCHRM4MAPT
SCHEMBL3620383 0.82 RAB9A (0.70) RAB9ANPC1POLBCHRM4MAPT
SCHEMBL13149469 0.81 RAB9A (0.78) RAB9ANPC1POLBCHRM4MAPT
SCHEMBL10107753 0.81 ALDH2 (0.73) RAB9ANPC1POLBALDH2MEN1
SCHEMBL20051405 0.79 RAB9A (0.66) RAB9ANPC1POLBCHRM4MAPT
SCHEMBL8360215 0.78 MMP13 (0.69) RAB9ANPC1POLBCHRM4MAPT
SCHEMBL8358827 0.77 RAB9A (0.61) RAB9ANPC1POLBCHRM4MAPT
SCHEMBL8357425 0.75 MMP13 (0.72) RAB9ANPC1POLBCHRM4MAPT
SCHEMBL10107738 0.74 TP53 (0.68) NPC1POLBALDH2MEN1LMNA
SCHEMBL17241709 0.74 RAB9A (0.57) RAB9ANPC1POLBCHRM4MAPT

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-20160107996-A1 Mitochondrial Aldehyde Dehyrogenase-2 Modulators and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2016-04-21 — — 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-20160107996-A1 Mitochondrial Aldehyde Dehyrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, SHMT2 RAB9A 4172/4885NPC1 2651/4885POLB 609/4885

“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.

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