SCHEMBL14948713

SCHEMBL14948713

COC(=O)[C@@H](C)CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESRRB O95718 2/20 0.43
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
MEN1 O00255 2/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL19545537 0.86 ESRRB (0.41) ESRRBKMT2AALDH1A1THRBCYP2C9
SCHEMBL18656603 0.85 ALDH1A1 (0.44) KMT2AALDH1A1HSD17B10MAPTL3MBTL1
SCHEMBL18656597 0.84 APAF1 (0.39) ALDH1A1CYP2C19MAPTL3MBTL1POLB
SCHEMBL15452092 0.84 APAF1 (0.39) ALDH1A1CYP2C19MAPTL3MBTL1POLB
SCHEMBL19273823 0.84 APAF1 (0.39) ALDH1A1CYP2C19MAPTL3MBTL1POLB
SCHEMBL13743037 0.83 SMN1; SMN2 (0.36) ESRRBKMT2AALDH1A1THRBCYP2C9
SCHEMBL13743074 0.83 SMN1; SMN2 (0.36) ESRRBKMT2AALDH1A1THRBCYP2C9
SCHEMBL19274004 0.82 NPC1 (0.33) ALDH1A1CYP2C19MAPTTSHRPOLB
SCHEMBL19273972 0.82 NPC1 (0.33) ALDH1A1CYP2C19MAPTTSHRPOLB
SCHEMBL18656643 0.79 PIN1 (0.39) KMT2AALDH1A1HSD17B10MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2016-10-13 US disclosed
US-8969557-B2 ACC inhibitors and uses thereof Nimbus Apollo, Inc. (US) 2015-03-03 US disclosed
WO-2013071169-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 WO disclosed
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 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 (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-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ESRRB 1220/4885KMT2A 2071/4885ALDH1A1 104/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ESRRB 1220/4885KMT2A 2071/4885ALDH1A1 104/4885

“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.