SCHEMBL560809

SCHEMBL560809

CC(C)(C)N(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL17841938 1.00 BLM (0.37) BLMPMP22HSD17B10KDM4E
SCHEMBL1903387 1.00 BLM (0.37) BLMPMP22HSD17B10KDM4E
SCHEMBL7120217 0.98 BLM (0.34) BLMPMP22HSD17B10
SCHEMBL21070958 0.85 MEN1 (0.37) KDM4E
SCHEMBL17183915 0.84 BLM (0.34) BLMPMP22HSD17B10
SCHEMBL21070941 0.84 MEN1 (0.41) BLMPMP22HSD17B10KDM4E
SCHEMBL16353668 0.84 KDM4E (0.42) BLMPMP22HSD17B10KDM4E
SCHEMBL18689524 0.84 KDM4E (0.42) BLMPMP22HSD17B10KDM4E
SCHEMBL16353619 0.84 MEN1 (0.41) BLMPMP22HSD17B10KDM4E
Hydrochloric Acid SCHEMBL4699208 0.83 HSD17B10 (0.36) HSD17B10

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-10004815-B2 Near-infrared quenching group THE UNIVERSITY OF TOKYO (JP) 2018-06-26 US disclosed
US-20160296639-A1 NEAR-INFRARED QUENCHING GROUP THE UNIVERSITY OF TOKYO (JP) 2016-10-13 US disclosed
EP-2419141-A1 PRETARGETING KIT, METHOD AND AGENTS USED THEREIN Koninklijke Philips Electronics N.V. (NL) 2012-02-22 EP disclosed
EP-2419142-A2 PRETARGETING KIT, METHOD AND AGENTS USED THEREIN Koninklijke Philips Electronics N.V. (NL) 2012-02-22 EP disclosed
US-20120039803-A1 PRETARGETING KIT, METHOD AND AGENTS USED THEREIN KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2012-02-16 US disclosed
US-20120034161-A1 PRETARGETING KIT, METHOD AND AGENTS USED THEREIN KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2012-02-09 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 (4 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-20120034161-A1 PRETARGETING KIT, METHOD AND AGENTS USED THEREIN KIT, PAICS, PROKR2 BLM 2577/4885PMP22 3640/4885HSD17B10 1544/4885
US-20120039803-A1 PRETARGETING KIT, METHOD AND AGENTS USED THEREIN KIT, PROKR2, RET BLM 2791/4885PMP22 4005/4885HSD17B10 2273/4885
US-20160296639-A1 NEAR-INFRARED QUENCHING GROUP CRY2, RELA, CRY1 BLM 259/4885PMP22 4499/4885HSD17B10 980/4885
US-10004815-B2 Near-infrared quenching group CRY2, RELA, CRY1 BLM 259/4885PMP22 4499/4885HSD17B10 980/4885

“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.