SCHEMBL2854898

SCHEMBL2854898

CCC(=O)c1ccc(-c2cc(N)ccc2C)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
LMNA P02545 2/20 0.42
MITF O75030 1/20 0.42
POLB P06746 1/20 0.42
PLA2G7 Q13093 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAOA P21397 1/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 3/20 0.37
CASP1 P29466 3/20 0.37
PDE10A Q9Y233 1/20 0.37
ALDH1A1 P00352 6/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL2856205 0.78 ALDH1A1 (0.45) NPC1POLBCYP1A2CYP3A4MAPT
SCHEMBL2854325 0.77 ALDH1A1 (0.50) LMNAPOLBCYP3A4MAPTTDP1
SCHEMBL6529809 0.77 ATM (0.40) NPC1LMNAMITFPOLBCYP3A4
SCHEMBL7701905 0.76 ALDH1A1 (0.53) NPC1LMNAMITFPOLBATM
SCHEMBL31607645 0.76 ALDH1A1 (0.61) NPC1LMNAPOLBPLA2G7CYP3A4
SCHEMBL3780639 0.76 ALDH1A1 (0.61) NPC1LMNAPOLBPLA2G7CYP3A4
SCHEMBL30839802 0.76 ALDH1A1 (0.61) NPC1LMNAPOLBPLA2G7CYP3A4
SCHEMBL14947562 0.76 MAPT (0.49) NPC1LMNACYP1A2CYP3A4ATM
SCHEMBL14947561 0.76 MAPT (0.49) NPC1LMNACYP1A2CYP3A4ATM
SCHEMBL13623664 0.75 ATM (0.46) NPC1CYP3A4ATMMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1456160-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2010-01-20 EP disclosed
US-6924400-B2 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2005-08-02 US disclosed
EP-1456160-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2004-09-15 EP disclosed
US-20030195259-A1 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT (FR) 2003-10-16 US disclosed
WO-2003050067-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2003-06-19 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-20030195259-A1 Triaromatic vitamin D analogues CYP24A1, CYP2R1, VDR NPC1 1306/4885LMNA 2638/4885MITF 162/4885

“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.