SCHEMBL6742518

SCHEMBL6742518

C=CCc1cccc(C)c1OCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.48
▸ PTGDR Q13258 1/20 0.48
▸ KMT2A Q03164 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CD69 Q07108 3/20 0.44
▸ PTGER4 P35408 2/20 0.43
▸ PTGER3 P43115 2/20 0.43
▸ PTGER2 P43116 2/20 0.43
▸ PTGER1 P34995 1/20 0.43
▸ PLA2G2A P14555 1/20 0.43
▸ FFAR1 O14842 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ L3MBTL1 Q9Y468 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
SCHEMBL7857063 0.84 PTGDR2 (0.56) PTGDR2PTGDRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL985213 0.82 TSHR (0.44) KMT2ASMN1; SMN2ALDH1A1PTGER4PTGER3
SCHEMBL830740 0.81 KMT2A (0.60) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL6089997 0.80 PTGDR2 (0.50) PTGDR2KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL5586090 0.80 GABRA1 (0.41) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL9715056 0.79 KDM4E (0.51) KMT2ASMN1; SMN2ALDH1A1MEN1KDM4E
SCHEMBL5259031 0.78 PTGDR (0.44) PTGDR2PTGDRKMT2AALDH1A1NPC1
SCHEMBL5259025 0.78 PTGDR (0.44) PTGDR2PTGDRKMT2AALDH1A1NPC1
SCHEMBL7805020 0.78 PTGER4 (0.53) ALDH1A1PTGER4PTGER3PTGER2PTGER1
SCHEMBL10790494 0.77 GABRA1 (0.44) KMT2AALDH1A1MEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696494-B2 HUMAN IMMUNODEFICIENCY VIRUS ENANTA PHARMACEUTICALS, INC. 2004-02-24 — — US disclosed
US-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease ENANTA PHARMACEUTICALS, INC. 2003-11-06 — — US disclosed
WO-2003034989-A2 α-HYDROXYARYLBUTANAMINE INHIBITORS OF ASPARTYL PROTEASE ENANTA PHARMACEUTICALS, INC. (US) 2003-05-01 — — 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-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease DNPEP, ASPH, CTSC PTGDR2 4710/4885PTGDR 4558/4885KMT2A 1800/4885

“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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