SCHEMBL7781929

SCHEMBL7781929

CCC=CNCCNCCNCCNCCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.50
CA6 P23280 5/20 0.50
CA7 P43166 5/20 0.50
CA9 Q16790 5/20 0.50
CA14 Q9ULX7 5/20 0.50
CA5B Q9Y2D0 5/20 0.50
CA2 P00918 4/20 0.50
CA4 P22748 4/20 0.50
CA5A P35218 4/20 0.50
LMNA P02545 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
CA3 P07451 3/20 0.50
ALOX15 P16050 3/20 0.50
CA1 P00915 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 2/20 0.46
RECQL P46063 2/20 0.46
KMT2A Q03164 2/20 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
SCHEMBL8536047 1.00 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL1548751 0.88
SCHEMBL1548753 0.88
SCHEMBL20146210 0.84
SCHEMBL10998672 0.81 FAAH (0.47) CA12CA6CA7CA9CA14
SCHEMBL22068508 0.78 KDM1A (0.42) TP53MEN1KMT2ACYP2C19CYP1A2
SCHEMBL1485912 0.73
SCHEMBL1485911 0.73
SCHEMBL1485889 0.72
SCHEMBL16976987 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1132454-A1 Fuel additive and fuel composition Nippon Mitsubishi Oil Corporation (JP) 2001-09-12 EP disclosed
US-20010005957-A1 Fuel additive and fuel composition NIPPON MITSUBISHI OIL CORPORATION 2001-07-05 US disclosed
US-5928393-A ESTERIFIED, ALKOXYLATED TERTIARY AMINE COMPOUND; DETERGENT ANTISLUDGE/ANTIDEPOSIT AGENT FOR INTERNAL COMBUSTION ENGINES NIPPON OIL CO., LTD. (JP) 1999-07-27 US disclosed
US-5837016-A ETHERIFIED (POLY)OXYALKYLENE GLYCOL CONTAINING AN AMIDE GROUP; INTERNAL COMBUSTION ENGINE ANTIDEPOSIT AGENTS NIPPON OIL CO., LTD. (JP) 1998-11-17 US disclosed
US-5755833-A URETHANE COMPOUND; ANTIDEPOSIT, ANTISLUDGING AGENT; GASOLINE NIPPON OIL CO., LTD. (JP) 1998-05-26 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-20010005957-A1 Fuel additive and fuel composition NOTUM, DEGS1, NDUFC1 CA12 3785/4885CA6 3033/4885CA7 1327/4885

“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.