SCHEMBL21939652

SCHEMBL21939652

CCC(C)(C)C(=O)c1c2ccccc2cc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HPGD P15428 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP1A2 P05177 1/20 0.52
GLA P06280 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
RIPK1 Q13546 6/20 0.46
L3MBTL1 Q9Y468 2/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
CNR2 P34972 1/20 0.38
MAPT P10636 1/20 0.38
NR1I2 O75469 1/20 0.37
HTR2A P28223 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 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
SCHEMBL12437314 0.82 ALDH1A1 (0.59) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL482181 0.76 ALDH1A1 (0.47) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL12419165 0.76 RIPK1 (0.43) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL14723767 0.75 CYP2C19 (0.38) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL6081630 0.74 ALDH1A1 (0.59) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL12513926 0.74 MEN1 (0.59) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL2735484 0.73 EPHX1 (0.47) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL13346829 0.73 RIPK1 (0.41) ALDH1A1HPGDMEN1KMT2AKDM4E
Anthracene-9-Carboxylic Acid SCHEMBL28344339 0.73 KDM4E (0.81) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL2735485 0.72 ADRB2 (0.45) ALDH1A1HPGDMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 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-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS NR1H2, NR1H3, NR1H4 ALDH1A1 2016/4885HPGD 1518/4885MEN1 4789/4885

“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.