SCHEMBL4211968

SCHEMBL4211968

COCOc1ccc(Cc2c(C)cc(C(=O)OC)cc2C)cc1C(=O)NCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.47
AKR1C3 P42330 5/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MGLL Q99685 1/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GBA1 P04062 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL296674 0.90 AKR1C3 (0.50) AKR1C3NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4211550 0.90 AKR1C3 (0.47) AKR1C3NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3734457 0.85 THRA (0.51) AKR1C3NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL283188 0.84 AKR1C3 (0.47) AKR1C3NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL283143 0.83 AKR1C3 (0.44) AKR1C3NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL282674 0.81 OPRK1 (0.43) RAB9AMAPTALDH1A1
SCHEMBL283282 0.74 THRB (0.47) RAB9AMAPT
SCHEMBL4349131 0.72 EGFR (0.42)
SCHEMBL3149305 0.72 ATM (0.40) KDM5BRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL27702900 0.72 BACE1 (0.39) AKR1C3NPC1RAB9AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics METABASIS THERAPEUTICS, INC. 2009-01-29 US disclosed
EP-1890768-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
WO-2006128056-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 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-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE KDM5B 4254/4885AKR1C3 1249/4885NPC1 897/4885

“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.