SCHEMBL3680955

SCHEMBL3680955

CCCCCCOc1cccc(OCCCCC=O)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
PLA2G4B P0C869 3/20 0.58
SMPD1 P17405 3/20 0.54
CYP2D6 P10635 2/20 0.50
GGPS1 O95749 2/20 0.50
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
PPARA Q07869 1/20 0.48
GPBAR1 Q8TDU6 1/20 0.48
PLA2G2A P14555 1/20 0.47
LTA4H P09960 1/20 0.47

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
SCHEMBL4745503 0.90 PLA2G4B (0.50) TSHRPLA2G4BSMPD1CYP2D6
SCHEMBL7345998 0.90 TLR4 (0.52) TSHRPLA2G4BCYP2D6THRBGPBAR1
SCHEMBL7350183 0.87 PPARA (0.62) CYP2D6GGPS1PPARA
SCHEMBL5257651 0.87 PPARA (0.58) TSHRPLA2G4BCYP2D6GGPS1PPARA
SCHEMBL7351935 0.86 NR5A1 (0.59) TSHRPLA2G4BLTA4H
SCHEMBL4208924 0.86 TSHR (0.76) TSHRPLA2G4BSMPD1GGPS1THRA
SCHEMBL17138169 0.86 TSHR (0.76) TSHRPLA2G4BSMPD1GGPS1THRA
SCHEMBL6677146 0.86 TSHR (0.76) TSHRPLA2G4BSMPD1GGPS1THRA
SCHEMBL3905859 0.86 TSHR (0.76) TSHRPLA2G4BSMPD1GGPS1THRA
SCHEMBL16699620 0.86 TSHR (0.76) TSHRPLA2G4BSMPD1GGPS1THRA

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-8410150-B2 Inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-04-02 US disclosed
US-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK 2010-04-29 US disclosed
WO-2008109991-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2008-09-18 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-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 TSHR 4316/4885PLA2G4B 883/4885SMPD1 144/4885

“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.