SCHEMBL26903509

SCHEMBL26903509

CC(C)c1[nH]c(=O)[nH]c1O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ KDM4A O75164 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ CA1 P00915 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL269470 0.81 HCAR2 (0.32) RAB9AMAPTALDH1A1CA1GAA
SCHEMBL13360253 0.72 LMNA (0.35) NPC1RAB9ALMNAMAPTALDH1A1
SCHEMBL10127313 0.71 NPC1 (0.44) NPC1RAB9ALMNAKDM4AMAPT
SCHEMBL18884210 0.67 KDM4E (0.50) MAPTALDH1A1GAA
SCHEMBL13462532 0.56 PDE3B (0.36) ALDH1A1HPGDGAA
SCHEMBL30107638 0.55 — —
SCHEMBL9062085 0.55 IDH1 (0.44) RAB9ALMNAMAPTALDH1A1HPGD
SCHEMBL8408224 0.55 RPS6KA3 (0.69) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL9052845 0.55 POLB (0.35) MAPTALDH1A1GAA
SCHEMBL10197127 0.55 SMPD3 (0.32) —

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-20230357175-A1 RAR-ALPHA COMPOUNDS FOR INFLAMMATORY DISEASE AND MALE CONTRACEPTION Orphagen Pharmaceuticals, Inc. 2023-11-09 — — US disclosed
US-20230357175-A1 RAR-ALPHA COMPOUNDS FOR INFLAMMATORY DISEASE AND MALE CONTRACEPTION Orphagen Pharmaceuticals, Inc. 2023-11-09 — — 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-20230357175-A1 RAR-ALPHA COMPOUNDS FOR INFLAMMATORY DISEASE AND MALE CONTRACEPTION RARA, RARB, RARG NPC1 1909/4885RAB9A 1704/4885LMNA 1664/4885

“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.

Send feedback