SCHEMBL5582735

SCHEMBL5582735

COc1ccc(C(=O)N(C)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
HSD17B1 P14061 1/20 0.58
HSD17B2 P37059 1/20 0.58
MCHR1 Q99705 2/20 0.56
ALDH1A1 P00352 2/20 0.55
HTT P42858 2/20 0.55
KDM4E B2RXH2 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX12 P18054 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HPGD P15428 1/20 0.55
HSP90AA1 P07900 1/20 0.52
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
NPC1 O15118 2/20 0.51

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
SCHEMBL6806574 0.93 HSD17B1 (0.65) CA1CA2HSD17B1HSD17B2MCHR1
SCHEMBL529976 0.88 KDM4E (0.71) CA1CA2HSD17B1HSD17B2MCHR1
SCHEMBL8703995 0.88 KDM4E (0.61) HSD17B1HSD17B2MCHR1ALDH1A1HTT
SCHEMBL9094961 0.88 KMT2A (0.56) ALDH1A1HTTKDM4EHSP90AA1PDK2
SCHEMBL4090142 0.87 HSD17B1 (0.58) CA1CA2HSD17B1HSD17B2MCHR1
SCHEMBL17213443 0.85 HPGD (0.62) HSD17B1HSD17B2MCHR1ALDH1A1HTT
SCHEMBL7376311 0.85 HSD17B1 (0.57) CA1CA2HSD17B1HSD17B2MCHR1
Water SCHEMBL11232726 0.84 HSD17B1 (0.56) CA1CA2HSD17B1HSD17B2MCHR1
Water SCHEMBL11232730 0.84 HSD17B1 (0.56) CA1CA2HSD17B1HSD17B2MCHR1
SCHEMBL9098471 0.83 NOTUM (0.58) CA1CA2ALDH1A1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-7115750-B1 Melanin concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-03 US disclosed
EP-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 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-20070173498-A1 Melanin concentrating hormone antagonist MC1R, MCHR1, MCHR2 CA1 3906/4885CA2 2551/4885HSD17B1 100/4885

“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.