SCHEMBL3680649

SCHEMBL3680649

C#Cc1cccc(OCCCCCC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.59
▸ LTA4H P09960 2/20 0.51
▸ PLA2G4B P0C869 3/20 0.51
▸ SMPD1 P17405 3/20 0.50
▸ NR5A1 Q13285 1/20 0.49
▸ GGPS1 O95749 2/20 0.47
▸ THRA P10827 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ MLNR O43193 1/20 0.45
▸ NR1I2 O75469 1/20 0.45
▸ ESR1 P03372 1/20 0.45
▸ NR3C1 P04150 1/20 0.45
▸ PGR P06401 1/20 0.45
▸ ADRB2 P07550 1/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ ADRB1 P08588 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ CHRM1 P11229 1/20 0.45

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
SCHEMBL9065935 0.84 TSHR (0.59) TSHRLTA4HPLA2G4BSMPD1NR5A1
SCHEMBL7756952 0.84 TSHR (0.59) TSHRLTA4HPLA2G4BSMPD1NR5A1
SCHEMBL6957299 0.84 TSHR (0.59) TSHRLTA4HPLA2G4BSMPD1NR5A1
SCHEMBL14034743 0.84 TSHR (0.59) TSHRLTA4HPLA2G4BSMPD1NR5A1
SCHEMBL9269275 0.84 TSHR (0.59) TSHRLTA4HPLA2G4BSMPD1NR5A1
SCHEMBL25168671 0.84 TSHR (0.59) TSHRLTA4HPLA2G4BSMPD1NR5A1
SCHEMBL7634664 0.84 TSHR (0.59) TSHRLTA4HPLA2G4BSMPD1NR5A1
SCHEMBL6960220 0.84 TSHR (0.59) TSHRLTA4HPLA2G4BSMPD1NR5A1
SCHEMBL9065483 0.84 TSHR (0.59) TSHRLTA4HPLA2G4BSMPD1NR5A1
SCHEMBL14732479 0.83 NR5A1 (0.50) TSHRLTA4HPLA2G4BNR5A1MLNR

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 4316/4885LTA4H 2655/4885PLA2G4B 883/4885

“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.

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