SCHEMBL5582630

SCHEMBL5582630

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.56
HSD17B1 P14061 1/20 0.55
HSD17B2 P37059 1/20 0.55
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
HTT P42858 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX12 P18054 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSP90AA1 P07900 1/20 0.49
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL9705548 0.89 NR1H4 (0.56) MCHR1KMT2AALDH1A1MEN1HTT
SCHEMBL6806574 0.89 HSD17B1 (0.65) MCHR1HSD17B1HSD17B2KMT2AALDH1A1
SCHEMBL12595515 0.86 ESR1 (0.50) KMT2AMEN1KDM4EHPGDACHE
SCHEMBL12550510 0.86 HSP90AA1 (0.49) KMT2AALDH1A1MEN1HTTHSP90AA1
SCHEMBL11988235 0.86 MCHR1 (0.47) MCHR1HSD17B1HSD17B2KMT2AALDH1A1
SCHEMBL4090142 0.83 HSD17B1 (0.58) MCHR1HSD17B1HSD17B2KMT2AALDH1A1
SCHEMBL5582735 0.83 CA1 (0.67) MCHR1HSD17B1HSD17B2KMT2AALDH1A1
SCHEMBL12595526 0.82 MCHR1 (0.48) MCHR1HSD17B2KMT2AMEN1KDM4E
SCHEMBL7376311 0.81 HSD17B1 (0.57) MCHR1HSD17B1HSD17B2KMT2AALDH1A1
SCHEMBL17211642 0.81 ALDH1A1 (0.53) KMT2AALDH1A1HTTPDK2PDK4

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 MCHR1 2/4885HSD17B1 100/4885HSD17B2 85/4885

“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.