SCHEMBL14710779

SCHEMBL14710779

C#Cc1ccc2cc(CC(=O)OC)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
GFER P55789 1/20 0.51
PTGS1 P23219 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
HSP90AB1 P08238 1/20 0.44
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL21620954 0.85 ALDH1A1 (0.61) ALDH1A1GAAGFERPTGS1AKR1C3
SCHEMBL8825194 0.84 CYP4F2 (0.58) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL14790325 0.84 ALDH1A1 (0.47) ALDH1A1GAAGFERPTGS1AKR1C3
SCHEMBL11461151 0.81 PTGS1 (0.54) ALDH1A1GAAPTGS1AKR1C3AKR1C2
SCHEMBL14790312 0.80 PTGS1 (0.44) ALDH1A1GAAGFERPTGS1AKR1C3
SCHEMBL11721376 0.80 CYP19A1 (0.51) ALDH1A1GAAPTGS1AKR1C3AKR1C2
SCHEMBL31170867 0.79 MEN1 (0.57) ALDH1A1GAAGFERPTGS1AKR1C3
SCHEMBL21451484 0.79 CYP11B1 (0.59) ALDH1A1GAAGFERPTGS1AKR1C3
SCHEMBL2662328 0.79 MEN1 (0.57) ALDH1A1GAAGFERPTGS1AKR1C3
SCHEMBL12419939 0.79 ALDH1A1 (0.54) ALDH1A1GAAGFERPTGS1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 ALDH1A1 4135/4885GAA 957/4885GFER 2149/4885

“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.