SCHEMBL1406758

SCHEMBL1406758

COC(=O)c1cc(-c2ccc(C)cc2)c(OCC(C)C)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
CNR2 P34972 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
MAPK14 Q16539 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
XDH P47989 1/20 0.34
AR P10275 1/20 0.34
PELP1 Q8IZL8 1/20 0.34
MYC P01106 1/20 0.34
MAX P61244 1/20 0.34

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
SCHEMBL1406707 0.88 SYK (0.39) TP53THRBAKR1C3AKR1C2MAPT
SCHEMBL1406772 0.82 LMNA (0.56) EGFRMEN1KMT2AMAPTALDH1A1
SCHEMBL1406683 0.78 MAPT (0.47) TDP1TP53MAPTALDH1A1MAPK1
SCHEMBL1406684 0.78 MAPT (0.47) TDP1TP53MAPTALDH1A1MAPK1
SCHEMBL1406455 0.78 TDP1 (0.47) EGFRTDP1CNR2MAPK14MAPT
SCHEMBL5049355 0.73 PTPN1 (0.38) AKR1C3AKR1C2MAPTHPGDPOLB
SCHEMBL5049354 0.73 PTPN1 (0.38) AKR1C3AKR1C2MAPTHPGDPOLB
SCHEMBL1406943 0.73 XDH (0.36) AKR1C3AKR1C2XDH
SCHEMBL1406509 0.72 RARA (0.39) TDP1TP53AKR1C3AKR1C2MAPT
SCHEMBL16769665 0.71 TDP1 (0.47) EGFRTDP1MEN1KMT2AMAPT

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
EP-1513793-B1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2011-03-09 EP disclosed
US-7468457-B2 Ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-12-23 US disclosed
US-20050131033-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-06-16 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-20050131033-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof RARA, RARB, RARG EGFR 181/4885TDP1 3677/4885CNR2 949/4885

“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.