SCHEMBL4160618

SCHEMBL4160618

Cc1ccccc1C=C1c2ccccc2CCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
ALDH1A1 P00352 4/20 0.56
TP53 P04637 3/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
CYP1A2 P05177 4/20 0.46
CYP2C19 P33261 3/20 0.46
KDM4E B2RXH2 2/20 0.46
SLC6A2 P23975 4/20 0.44
CYP3A4 P08684 4/20 0.44
CYP2D6 P10635 3/20 0.44
RET P07949 3/20 0.44
LMNA P02545 3/20 0.44
ADRB2 P07550 2/20 0.44
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44

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
SCHEMBL4167052 0.87 NPC1 (0.46) MAPTALDH1A1TP53NPC1RAB9A
SCHEMBL4167049 0.87 NPC1 (0.46) MAPTALDH1A1TP53NPC1RAB9A
SCHEMBL30832112 0.78 MAPT (0.83) MAPTALDH1A1TP53NPC1RAB9A
SCHEMBL4165324 0.78 CES1 (0.41) MAPTALDH1A1TP53NPC1RAB9A
SCHEMBL4167936 0.78 HSD11B1 (0.49) MAPTALDH1A1TP53NPC1RAB9A
SCHEMBL4161069 0.78 LMNA (0.48) MAPTALDH1A1TP53NPC1RAB9A
SCHEMBL4157532 0.77 SLC6A2 (0.47) MAPTALDH1A1TP53NPC1RAB9A
SCHEMBL4164482 0.77 MAPT (0.56) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4159008 0.77 CYP3A4 (0.47) MAPTALDH1A1TP53NPC1RAB9A
SCHEMBL4168175 0.77 MIF (0.44) MAPTALDH1A1TP53NPC1RAB9A

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
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2006-03-23 US disclosed
EP-1519915-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-06 EP disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 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 (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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 MAPT 3591/4885ALDH1A1 1812/4885TP53 3454/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 MAPT 3416/4885ALDH1A1 1728/4885TP53 3691/4885

“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.