SCHEMBL3626490

SCHEMBL3626490

COc1cc(CC(=O)N2CCCCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc32)cc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
LMNA P02545 5/20 0.47
NR1H3 Q13133 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 1/20 0.43
NR1H2 P55055 2/20 0.42
RORC P51449 2/20 0.42
NR1I2 O75469 1/20 0.42
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
RIPK1 Q13546 1/20 0.40
NOTUM Q6P988 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL3623850 0.93 ALDH1A1 (0.61) ALDH1A1LMNANR1H3SMN1; SMN2RAB9A
SCHEMBL3625624 0.92 ALDH1A1 (0.52) ALDH1A1LMNANR1H3SMN1; SMN2RAB9A
SCHEMBL13317318 0.87 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2RAB9ATSHR
SCHEMBL3625855 0.86 RORC (0.49) ALDH1A1LMNANR1H3NR1H2RORC
SCHEMBL3620198 0.86 NR1H3 (0.49) ALDH1A1LMNANR1H3SMN1; SMN2MEN1
SCHEMBL3624100 0.86 NR1H3 (0.51) ALDH1A1LMNANR1H3SMN1; SMN2MEN1
SCHEMBL3626517 0.85 ALDH1A1 (0.48) ALDH1A1LMNANR1H3SMN1; SMN2RAB9A
SCHEMBL13317278 0.85 ALDH1A1 (0.61) ALDH1A1LMNASMN1; SMN2RAB9ATSHR
SCHEMBL3621272 0.85 NR1H3 (0.58) ALDH1A1LMNANR1H3SMN1; SMN2RAB9A
SCHEMBL3628809 0.85 NR1H3 (0.50) ALDH1A1LMNANR1H3SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951676-B1 N-ACYL BENZAZEPINE DERIVATIVES AS LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-07-17 EP disclosed
US-7741317-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 US disclosed
US-7741317-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 US disclosed
US-7741317-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 US disclosed
EP-1951676-A2 LXR MODULATORS Brystol-Myers Squibb Company (US) 2008-08-06 EP disclosed
EP-1888532-A1 HETEROAROYL-SUBSTITUTED SERINE AMIDES BASF AKTIENGESELLSCHAFT (DE) 2008-02-20 EP disclosed
WO-2007050425-A2 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-03 WO disclosed
US-20070093470-A1 LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-20070093470-A1 LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-20070093470-A1 LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
WO-2006125687-A1 HETEROAROYL-SUBSTITUTED SERINE AMIDES BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 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 (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-20070093470-A1 LXR modulators NR1H2, NR1H3, RXRB ALDH1A1 2274/4885LMNA 784/4885NR1H3 2/4885

“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.