SCHEMBL20105087

SCHEMBL20105087

Cc1cc(C(=O)O[Si](C)(C)C(C)(C)C)ccc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.38
MGLL Q99685 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 2/20 0.33
NOTUM Q6P988 1/20 0.33
ALOX15 P16050 1/20 0.33
TAS1R3 Q7RTX0 3/20 0.33
TAS1R1 Q7RTX1 3/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
RAB9A P51151 1/20 0.32
AR P10275 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL6532547 0.85 DRD2 (0.39) DRD2KMT2AMAPTRAB9AALDH1A1
SCHEMBL12554693 0.85 CA12 (0.45) DRD2KMT2AALOX15RAB9ACA12
SCHEMBL20100939 0.84 KMT2A (0.47) KMT2AMAPTALOX15RAB9AALDH1A1
SCHEMBL20105088 0.84 DRD2 (0.47) DRD2KMT2AMAPTRAB9ACA12
SCHEMBL4196763 0.84 DRD2 (0.39) DRD2ALOX15TAS1R3TAS1R1THRA
SCHEMBL21433742 0.82 CES2 (0.38) DRD2KMT2AMAPTALOX15TAS1R3
SCHEMBL20100951 0.79 NOTUM (0.45) KMT2AMAPTNOTUMTAS1R3TAS1R1
SCHEMBL20100937 0.79 SMN1; SMN2 (0.47) KMT2AMAPTALOX15THRBRAB9A
SCHEMBL19616152 0.78 DRD2 (0.45) DRD2KMT2AMAPTTAS1R3TAS1R1
SCHEMBL12554689 0.78 DRD2 (0.36) DRD2KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180116993-A1 MODULATORS OF FARNESOID X RECEPTOR AND METHODS FOR THE USE THEREOF XIAMEN UNIVERSITY (CN) 2018-05-03 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-20180116993-A1 MODULATORS OF FARNESOID X RECEPTOR AND METHODS FOR THE USE THEREOF NR1H4, FABP1, NR1H2 DRD2 4763/4885MGLL 407/4885KMT2A 4075/4885

“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.