SCHEMBL10035690

SCHEMBL10035690

Cc1ccc(COC(C)(C)C)cc1C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSP90AA1 P07900 1/20 0.34
TACR1 P25103 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ALDH1A1 P00352 1/20 0.33
IDO1 P14902 1/20 0.33
HTT P42858 2/20 0.33
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
PDE2A O00408 1/20 0.31
GPR84 Q9NQS5 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
SCHEMBL19240328 0.82 HPGD (0.33) NPC1LMNAL3MBTL1ALDH1A1
SCHEMBL19240330 0.82 ALDH1A1 (0.42) NPC1RAB9AMAPTALDH1A1IDO1
SCHEMBL19240332 0.82 CYP4F2 (0.40) MAPTESR1ESR2ALDH1A1CYP1A2
SCHEMBL19240327 0.82 IDO1 (0.40) NPC1MAPTALDH1A1IDO1CYP3A4
SCHEMBL19240334 0.81 CA2 (0.41) NPC1LMNAMAPTALDH1A1HTT
SCHEMBL25860160 0.80 SKP2 (0.34) NPC1RAB9ALMNAMAPTL3MBTL1
SCHEMBL19240331 0.80 CCR5 (0.31) LMNA
SCHEMBL19240325 0.80 IDO1 (0.42) IDO1
SCHEMBL648537 0.79 AGXT (0.39) ESR1ESR2IDO1
SCHEMBL7060861 0.78 TSHR (0.40) NPC1RAB9ALMNAMAPTL3MBTL1

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-20230219894-A1 DISUBSTITUTED ADAMANTYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FOR SUPPRESSING CANCER GROWTH COMPRISING SAME AS ACTIVE INGREDIENT ONECUREGEN CO., LTD. (KR) 2023-07-13 US disclosed
US-8119653-B2 Belactosin derivatives as therapeutic agents/biological probes and their synthesis THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-02-21 US disclosed
US-20090042922-A1 NOVEL BELACTOSIN DERIVATIVES AS THERAPEUTIC AGENTS/BIOLOGICAL PROBES AND THEIR SYNTHESIS NATIONAL SCIENCE FOUNDATION 2009-02-12 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 (2 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-20090042922-A1 NOVEL BELACTOSIN DERIVATIVES AS THERAPEUTIC AGENTS/BIOLOGICAL PROBES AND THEIR SYNTHESIS PSMB1, PSMB10, PBK NPC1 4256/4885RAB9A 2986/4885LMNA 389/4885
US-20230219894-A1 DISUBSTITUTED ADAMANTYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FOR SUPPRESSING CANCER GROWTH COMPRISING SAME AS ACTIVE INGREDIENT AK2, CS, GOT2 NPC1 1926/4885RAB9A 1523/4885LMNA 3870/4885

“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.