SCHEMBL1505058

SCHEMBL1505058

O=C(O)c1cc(Cl)ccc1OCC1CCCO1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.57
TSHR P16473 3/20 0.50
NPC1 O15118 3/20 0.50
HPGD P15428 2/20 0.50
RAB9A P51151 2/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 2/20 0.49
DRD4 P21917 1/20 0.47
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
MAPT P10636 1/20 0.46
SCN9A Q15858 1/20 0.46
CNR2 P34972 1/20 0.46

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
SCHEMBL24252895 0.82 DRD4 (0.47) PTGER1TSHRNPC1HPGDRAB9A
SCHEMBL30452353 0.82 DRD4 (0.47) PTGER1TSHRNPC1HPGDRAB9A
SCHEMBL2278307 0.82 KMT2A (0.48) HPGDALDH1A1KDM4EMAPTSCN9A
SCHEMBL4015350 0.80 PTGER4 (0.56) PTGER1NPC1RAB9AALDH1A1KDM4E
SCHEMBL13125277 0.80 NPC1 (0.56) PTGER1TSHRNPC1HPGDRAB9A
SCHEMBL18585229 0.80 MAPT (0.48) PTGER1TSHRNPC1HPGDRAB9A
SCHEMBL1197051 0.78 PTGER1 (0.46) PTGER1TSHRNPC1HPGDRAB9A
SCHEMBL9622761 0.77 PRKAB2 (0.43) PTGER1NPC1RAB9AALDH1A1HSD17B10
SCHEMBL1197111 0.77 PTGER1 (0.45) PTGER1TSHRNPC1HPGDRAB9A
SCHEMBL8296597 0.76 MEN1 (0.51) PTGER1TSHRNPC1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011027156-A1 BENZODIAZEPINE DERIVATIVES FOR TREATING HEPATITIS C INFECTION ARROW THERAPEUTICS LIMITED (GB) 2011-03-10 WO disclosed
US-20110059043-A1 CHEMICAL COMPOUNDS ARROW THERAPEUTICS LIMITED (GB) 2011-03-10 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-20110059043-A1 CHEMICAL COMPOUNDS CYP2E1, CNR1, CYP3A5 PTGER1 505/4885TSHR 598/4885NPC1 316/4885

“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.