SCHEMBL4530702

SCHEMBL4530702

CCCCCCCCCN(CCCCCCCCC)C(=S)[S-].CCCCCCCCCN(CCCCCCCCC)C(=S)[S-].CCCCCCCCCN(CCCCCCCCC)C(=S)[S-].CCCCCCCCCN(CCCCCCCCC)C(=S)[S-].CCCCCCCCCN(CCCCCCCCC)C(=S)[S-].CCCCCCCCCN(CCCCCCCCC)C(=S)[S-].[Mo+6]

nearest known ligand 0.91

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 13/20 0.91
CA1 P00915 13/20 0.91
CA9 Q16790 13/20 0.91
CA2 P00918 11/20 0.91
MGLL Q99685 1/20 0.55
CA4 P22748 2/20 0.50
EHMT2 Q96KQ7 2/20 0.50
EHMT1 Q9H9B1 2/20 0.50
ALDH1A1 P00352 1/20 0.46
ALDH2 P05091 1/20 0.46
DNM1 Q05193 3/20 0.44
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL2379653 1.00 CA12 (0.91) CA12CA1CA9CA2MGLL
SCHEMBL2380360 1.00 CA12 (0.91) CA12CA1CA9CA2MGLL
SCHEMBL4389382 1.00 CA12 (0.91) CA12CA1CA9CA2MGLL
SCHEMBL2378770 1.00 CA12 (0.91) CA12CA1CA9CA2MGLL
SCHEMBL2382500 1.00 CA12 (0.91) CA12CA1CA9CA2MGLL
SCHEMBL4513484 1.00 CA12 (0.91) CA12CA1CA9CA2MGLL
SCHEMBL4398000 1.00 CA12 (0.91) CA12CA1CA9CA2MGLL
SCHEMBL2475352 1.00 CA12 (0.91) CA12CA1CA9CA2MGLL
SCHEMBL968412 0.98 CA12 (0.87) CA12CA1CA9CA2MGLL
SCHEMBL7117660 0.98 CA12 (0.87) CA12CA1CA9CA2MGLL

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
EP-4039879-A1 WIRE ROPE Toyoflex Corporation (JP) 2022-08-10 EP disclosed
US-20220186433-A1 WIRE ROPE TOYOFLEX CORPORATION (JP) 2022-06-16 US disclosed
US-8207098-B2 Lubricant additive, lubricant composition and grease composition YAMANASHI UNIVERSITY (JP) 2012-06-26 US disclosed
US-20090239773-A1 LUBRICANT ADDITIVE, LUBRICANT COMPOSITION AND GREASE COMPOSITION YAMANASHI UNIVERSITY (JP) 2009-09-24 US disclosed
EP-1772512-A2 Sliding structure and sliding method TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2007-04-11 EP disclosed
US-20070078067-A1 Sliding structure and sliding method TOYOTA JIDOSHA KABUSHIKI KAISHA 2007-04-05 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-20090239773-A1 LUBRICANT ADDITIVE, LUBRICANT COMPOSITION AND GREASE COMPOSITION GRN, GRIA1, GRIK5 CA12 4407/4885CA1 2983/4885CA9 3776/4885

“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.