SCHEMBL15912467

SCHEMBL15912467

COC(=O)c1cnccc1Oc1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.51
PTGS2 P35354 3/20 0.51
HSD17B10 Q99714 1/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ICAM1 P05362 2/20 0.42
SELE P16581 2/20 0.42
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.40
PDE5A O76074 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 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
SCHEMBL4042446 0.85 TDP1 (0.55) PTGS1PTGS2HSD17B10LMNAALDH1A1
SCHEMBL874102 0.85 PTGS1 (0.48) PTGS1PTGS2HSD17B10LMNAALDH1A1
SCHEMBL874453 0.84 PTGS1 (0.48) PTGS1PTGS2HSD17B10LMNAALDH1A1
SCHEMBL15897488 0.79 SLC6A3 (0.60) LMNAALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL17703257 0.79 HSD17B10 (0.52) HSD17B10LMNAALDH1A1KDM4EGAA
SCHEMBL15880367 0.79 HSD17B10 (0.44) HSD17B10LMNAALDH1A1KDM4EGLA
SCHEMBL9646602 0.78 KDM4E (0.59) HSD17B10LMNAALDH1A1KDM4EGLA
SCHEMBL1958013 0.77 HSD17B10 (0.48) PTGS1PTGS2HSD17B10ALDH1A1KDM4E
SCHEMBL22452616 0.77 KDM4E (0.56) HSD17B10LMNAALDH1A1KDM4EGLA
SCHEMBL1513824 0.76 ALDH1A1 (0.50) HSD17B10LMNAALDH1A1KDM4EGLA

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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 PTGS1 460/4885PTGS2 644/4885HSD17B10 2376/4885

“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.