SCHEMBL13508

SCHEMBL13508

Cc1noc(-c2ccc(-c3ccccc3)cc2)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.51
PTPN1 P18031 1/20 0.50
ALDH1A1 P00352 4/20 0.49
IP6K1 Q92551 3/20 0.49
MAPT P10636 2/20 0.49
IP6K3 Q96PC2 2/20 0.49
IP6K2 Q9UHH9 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 3/20 0.46
DUSP3 P51452 2/20 0.46
MEN1 O00255 2/20 0.46
TRPA1 O75762 1/20 0.46
LPAR1 Q92633 1/20 0.45
LPAR3 Q9UBY5 1/20 0.45
TP53 P04637 2/20 0.44
HSD17B10 Q99714 1/20 0.44
DHODH Q02127 1/20 0.44
NR1I2 O75469 1/20 0.44
BRD4 O60885 1/20 0.43

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
SCHEMBL928538 0.97 PTGS1 (0.54) PTGS1PTPN1ALDH1A1IP6K1MAPT
Hydrochloric Acid SCHEMBL19119250 0.95 PTGS1 (0.53) PTGS1PTPN1ALDH1A1IP6K1MAPT
SCHEMBL14789796 0.90 RAB9A (0.51) PTGS1PTPN1ALDH1A1IP6K1MAPT
SCHEMBL15280716 0.88 RAB9A (0.52) PTGS1PTPN1ALDH1A1IP6K1MAPT
SCHEMBL22467553 0.87 ALDH1A1 (0.46) PTGS1PTPN1ALDH1A1IP6K1MAPT
SCHEMBL14711420 0.85 NPC1 (0.40) PTGS1PTPN1ALDH1A1IP6K1MAPT
SCHEMBL4332210 0.85 CYP1A2 (0.47) PTGS1PTPN1ALDH1A1IP6K1MAPT
SCHEMBL1563 0.85 PTPN1 (0.47) PTGS1PTPN1ALDH1A1IP6K1MAPT
SCHEMBL4336589 0.85 MAPT (0.51) ALDH1A1IP6K1MAPTIP6K3IP6K2
SCHEMBL4676416 0.85 PTGS1 (0.53) PTGS1PTPN1ALDH1A1MAPTSMN1; SMN2

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-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 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-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 PTGS1 922/4885PTPN1 931/4885ALDH1A1 3990/4885

“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.