SCHEMBL4160770

SCHEMBL4160770

NC(=O)c1ccccc1C=C1c2ccccc2CCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.46
PARP1 P09874 3/20 0.44
NOTUM Q6P988 2/20 0.43
BCAT2 O15382 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 1/20 0.40
CES1 P23141 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4162085 0.79 CYP3A4 (0.56) MIFNOTUMSMN1; SMN2HTTCES1
SCHEMBL4161555 0.75 BCAT2 (0.49) MIFPARP1NOTUMBCAT2SMN1; SMN2
SCHEMBL4165324 0.75 CES1 (0.41) MIFPARP1SMN1; SMN2HTTCES1
SCHEMBL4161069 0.75 LMNA (0.48) MIFPARP1SMN1; SMN2HTTCES1
SCHEMBL4172411 0.72 MIF (0.46) MIFPARP1SMN1; SMN2HTTCES1
SCHEMBL4164510 0.72 NR3C1 (0.46) MIFPARP1SMN1; SMN2HTTCES1
SCHEMBL4161961 0.72 CYP2C19 (0.76) MIFSMN1; SMN2HTTMAPTKDM4E
SCHEMBL4163513 0.72 AR (0.52) MIFPARP1NOTUMBCAT2MAPT
SCHEMBL4160618 0.71 MAPT (0.56) MIFPARP1SMN1; SMN2HTTCES1
SCHEMBL4167936 0.71 HSD11B1 (0.49) MIFPARP1SMN1; SMN2HTTCES1

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 8 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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
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-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 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
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 MIF 1642/4885PARP1 4266/4885NOTUM 2083/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 MIF 1592/4885PARP1 4253/4885NOTUM 2073/4885

“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.