SCHEMBL13146014

SCHEMBL13146014

Cc1ccc2ccc(C)c(CCl)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.48
CYP1A2 P05177 5/20 0.48
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
RAB9A P51151 3/20 0.35
TAAR1 Q96RJ0 1/20 0.34
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 3/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL20669647 0.86 ALDH1A1 (0.53) CYP2A6CYP1A2ALDH1A1LMNAKDM4E
SCHEMBL706356 0.78 L3MBTL1 (0.57) CYP2A6CYP1A2ALDH1A1KDM4EGAA
SCHEMBL13180139 0.76 CYP1A2 (0.44) CYP2A6CYP1A2ALDH1A1LMNAKDM4E
SCHEMBL13146023 0.76 CYP1A2 (0.44) CYP2A6CYP1A2ALDH1A1LMNAKDM4E
SCHEMBL9478552 0.75 PON1 (0.36) CYP1A2ALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL13146011 0.74 MAPT (0.54) CYP2A6CYP1A2ALDH1A1LMNAKDM4E
SCHEMBL11436049 0.73 CYP1A2 (0.42) CYP2A6CYP1A2ALDH1A1LMNAKDM4E
SCHEMBL599276 0.72 CYP1A2 (0.65) CYP2A6CYP1A2ALDH1A1LMNAKDM4E
SCHEMBL9164079 0.72 L3MBTL1 (0.35) CYP1A2L3MBTL1TSHRACHE
SCHEMBL31633434 0.72 L3MBTL1 (0.35) CYP1A2L3MBTL1TSHRACHE

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 6 patents. 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
WO-2019016269-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2019-01-24 WO disclosed
US-7794854-B2 Corannulene compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2010-09-14 US disclosed
US-7794854-B2 Corannulene compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2010-09-14 US disclosed
US-20070049779-A1 CORANNULENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2007-03-01 US disclosed
US-20070049779-A1 CORANNULENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2007-03-01 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 CYP2A6 524/4885CYP1A2 292/4885ALDH1A1 2016/4885

“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.