SCHEMBL12197405

SCHEMBL12197405

COc1ccc(CC(=O)O)cc1-c1ccc(C)cc1CSc1nnc(C)s1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.54
▸ HPGD P15428 4/20 0.54
▸ NPC1 O15118 5/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ MAPT P10636 8/20 0.47
▸ LMNA P02545 2/20 0.46
▸ GAA P10253 2/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.42

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
SCHEMBL12197402 0.90 ALDH1A1 (0.52) ALDH1A1HPGDNPC1SMN1; SMN2RAB9A
SCHEMBL2497708 0.88 PTGDR2 (0.56) ALDH1A1HPGDCYP2C9PTGDR2
SCHEMBL12197421 0.83 POLB (0.42) MAPTLMNAGAAPTGDR2
SCHEMBL12197397 0.82 PTGDR2 (0.48) GAACYP2C9PTGDR2
SCHEMBL12197427 0.80 PTGDR2 (0.43) GAACYP2C9PTGDR2
SCHEMBL2496926 0.79 PTGDR2 (0.48) ALDH1A1HPGDNPC1SMN1; SMN2RAB9A
SCHEMBL12197401 0.79 CYP3A4 (0.52) ALDH1A1GAACYP2C9PTGDR2
SCHEMBL12197447 0.78 GAA (0.52) ALDH1A1GAACYP2C9PTGDR2
SCHEMBL12197398 0.78 PTGDR2 (0.50) GAACYP2C9PTGDR2
SCHEMBL136044 0.77 GAA (0.51) ALDH1A1GAACYP2C9PTGDR2

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-8524748-B2 Heteroalkyl biphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-09-03 — — US disclosed
US-20110245303-A1 HETEROALKYL BIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-10-06 — — 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-20110245303-A1 HETEROALKYL BIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ALDH1A1 1889/4885HPGD 72/4885NPC1 2459/4885

“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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