SCHEMBL2113477

SCHEMBL2113477

O=C(O)c1cc(C(=O)CC(=O)c2cc(C(=O)O)c(O)c3ccccc23)c2ccccc2c1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.73
HPGD P15428 2/20 0.73
CYP2C9 P11712 2/20 0.73
TSHR P16473 1/20 0.73
ALOX12 P18054 1/20 0.73
ATIC P31939 1/20 0.73
THRB P10828 1/20 0.62
HMGB1 P09429 1/20 0.62
CXCL12 P48061 1/20 0.62
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 1/20 0.59
MAPT P10636 1/20 0.59
PKM P14618 1/20 0.59
HTT P42858 1/20 0.59
KMT2A Q03164 1/20 0.59
MCL1 Q07820 12/20 0.53
POLB P06746 1/20 0.50
GPR35 Q9HC97 1/20 0.50
LDHA P00338 1/20 0.49

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
SCHEMBL5539615 0.87 HSD17B10 (0.88) HSD17B10HPGDCYP2C9TSHRALOX12
SCHEMBL9618861 0.79 HSD17B10 (0.74) HSD17B10HPGDCYP2C9TSHRALOX12
SCHEMBL317180 0.77 THRB (1.00) HSD17B10HPGDCYP2C9TSHRALOX12
SCHEMBL8747580 0.76 HMGB1 (1.00) HSD17B10HPGDCYP2C9TSHRALOX12
SCHEMBL27785282 0.75 HMGB1 (0.77) HSD17B10HPGDCYP2C9TSHRALOX12
SCHEMBL10343413 0.74 HSD17B10 (0.67) HSD17B10HPGDCYP2C9TSHRALOX12
SCHEMBL485235 0.74 HSD17B10 (0.67) HSD17B10HPGDCYP2C9TSHRALOX12
SCHEMBL485003 0.74 HSD17B10 (0.67) HSD17B10HPGDCYP2C9TSHRALOX12
SCHEMBL12818517 0.74 HSD17B10 (0.67) HSD17B10HPGDCYP2C9TSHRALOX12
SCHEMBL22213017 0.74 HSD17B10 (0.67) HSD17B10HPGDCYP2C9TSHRALOX12

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
US-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2012-04-19 US claimed
WO-2010114919-A2 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER STC.UNM (US) 2010-10-07 WO claimed

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-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER RNASE1, DCLRE1B, FEN1 HSD17B10 1364/4885HPGD 3439/4885CYP2C9 3174/4885

“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.