SCHEMBL22324772

SCHEMBL22324772

O=C(O)N1CC=C(c2ccc(N3CCCC3=O)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ HPGD P15428 6/20 0.50
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ IP6K1 Q92551 1/20 0.44
▸ IP6K3 Q96PC2 1/20 0.44
▸ IP6K2 Q9UHH9 1/20 0.44
▸ GRK6 P43250 1/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ PRKAB2 O43741 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
SCHEMBL22325027 0.82 F10 (0.41) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL22324903 0.82 NAMPT (0.53) ALDH1A1HPGD
SCHEMBL22325045 0.82 ALDH1A1 (0.45) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL23120751 0.79 DDB1 (0.52) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL27762102 0.78 ALDH1A1 (0.50) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL7229539 0.78 ALDH1A1 (0.50) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL20993989 0.76 QDPR (0.57) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL28811687 0.76 ALDH1A1 (0.63) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL22324813 0.76 KCNH2 (0.44) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL22324889 0.76 KCNH2 (0.44) ALDH1A1HPGDNPC1RAB9ASMN1; 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-20220144797-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-05-12 — — US disclosed
WO-2020163689-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-08-13 — — 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-20220144797-A1 20-HETE FORMATION INHIBITORS CYP4A22, ALOX5, ALOX15 ALDH1A1 545/4885HPGD 22/4885CYP1A2 41/4885

“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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