SCHEMBL16203495

SCHEMBL16203495

CC(C)(C)c1ccc2c(C(N)=O)c[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.54
▸ ATM Q13315 1/20 0.54
▸ MEN1 O00255 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KIF11 P52732 4/20 0.43
▸ NR4A2 P43354 2/20 0.43
▸ IGF1R P08069 1/20 0.43
▸ MET P08581 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ HTR1D P28221 1/20 0.42
▸ PIM1 P11309 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ CFTR P13569 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PRKAB2 O43741 1/20 0.40
▸ PRKAG1 P54619 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
SCHEMBL13245005 0.88 ALDH1A1 (0.54) ALDH1A1ATMMEN1KMT2AKIF11
SCHEMBL3629228 0.84 ALDH1A1 (0.65) ALDH1A1ATMMEN1CYP1A2HPGD
SCHEMBL7360321 0.81 NR4A2 (0.50) ALDH1A1MEN1CYP1A2HPGDALOX12
SCHEMBL19518702 0.79 CYP1A2 (0.74) ALDH1A1MEN1CYP1A2HPGDALOX12
SCHEMBL16205922 0.79 NR4A2 (0.67) ALDH1A1ATMNR4A2PIM1PIM3
SCHEMBL214780 0.77 ALDH1A1 (0.61) ALDH1A1ATMHPGDNR4A2PIM1
SCHEMBL15652258 0.77 ALDH1A1 (0.61) ALDH1A1ATMMEN1CYP1A2HPGD
SCHEMBL26204498 0.76 NR4A2 (0.65) ALDH1A1ATMNR4A2PIM1PIM3
SCHEMBL8889647 0.76 ALDH1A1 (0.59) ALDH1A1ATMNR4A2PIM1PIM3
SCHEMBL3660284 0.75 MAPT (0.69) ALDH1A1ATMMEN1KMT2ANR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150336958-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-11-26 — — US disclosed
US-20140323730-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER (US) 2014-10-30 — — 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-20150336958-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 ALDH1A1 96/4885ATM 1641/4885MEN1 3985/4885
US-20140323730-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 ALDH1A1 105/4885ATM 1673/4885MEN1 3794/4885

“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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