SCHEMBL15218608

SCHEMBL15218608

CCCCCCCCC(Oc1ccc(C(=O)OCCCCCCC)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
ALDH1A1 P00352 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
STS P08842 7/20 0.56
TSHR P16473 3/20 0.54
LMNA P02545 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
ESR1 P03372 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPK1 P28482 1/20 0.54
NR1H2 P55055 1/20 0.54
RNASEL Q05823 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
PDE4D Q08499 1/20 0.52
CTRC Q99895 1/20 0.52
HPGD P15428 2/20 0.50

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
SCHEMBL15218607 1.00 MAPT (0.57) MAPTALDH1A1NPC1RAB9ASTS
SCHEMBL15218606 0.95 CTRC (0.52) MAPTALDH1A1NPC1RAB9ASTS
SCHEMBL7814101 0.87 CTRC (0.54) MAPTNPC1RAB9ATSHRSMN1; SMN2
SCHEMBL31144647 0.86 CTRC (0.63) TSHRSMN1; SMN2CTRCTP53
SCHEMBL28349098 0.85 TP53 (0.59) TSHRCTRCKMT2ATP53
SCHEMBL8133487 0.85 TP53 (0.59) TSHRCTRCKMT2ATP53
SCHEMBL15199291 0.85 CTRC (0.63) TSHRLMNACTRCTP53
SCHEMBL2255421 0.85 TP53 (0.59) TSHRCTRCKMT2ATP53
SCHEMBL11589038 0.84 TP53 (0.56) TSHRCTRCKMT2ATP53
SCHEMBL13152977 0.83 ESR1 (0.57) MAPTALDH1A1NPC1RAB9ASTS

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-9475750-B2 Phenylketone carboxylate compounds and pharmaceutical uses thereof PROMETIC BIOSCIENCES INC. (CA) 2016-10-25 US disclosed
US-20130225681-A1 Phenylketone Carboxylate Compounds and Pharmaceutical Uses Thereof PROMETIC BIOSCIENCES INC. (CA) 2013-08-29 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-20130225681-A1 Phenylketone Carboxylate Compounds and Pharmaceutical Uses Thereof BCKDK, PDK4, FAH MAPT 801/4885ALDH1A1 1168/4885NPC1 1031/4885

“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.