SCHEMBL9893627

SCHEMBL9893627

CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 11/20 1.00
HTT P42858 2/20 0.88
KMT2A Q03164 1/20 0.70
HSP90AA1 P07900 2/20 0.67
RAD52 P43351 2/20 0.67
PLA2G1B P04054 1/20 0.61
ATG4B Q9Y4P1 1/20 0.61
SLC22A1 O15245 1/20 0.58

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
SCHEMBL37784 1.00 DNM1 (1.00) DNM1HTTKMT2AHSP90AA1RAD52
SCHEMBL37598 1.00 DNM1 (1.00) DNM1HTTKMT2AHSP90AA1RAD52
SCHEMBL1172468 1.00 DNM1 (1.00) DNM1HTTKMT2AHSP90AA1RAD52
SCHEMBL149817 1.00 DNM1 (1.00) DNM1HTTKMT2AHSP90AA1RAD52
SCHEMBL13904606 1.00 DNM1 (1.00) DNM1HTTKMT2AHSP90AA1RAD52
SCHEMBL1049292 1.00 DNM1 (1.00) DNM1HTTKMT2AHSP90AA1RAD52
SCHEMBL1172061 1.00 DNM1 (1.00) DNM1HTTKMT2AHSP90AA1RAD52
SCHEMBL9577048 1.00 DNM1 (1.00) DNM1HTTKMT2AHSP90AA1RAD52
SCHEMBL585746 1.00 DNM1 (1.00) DNM1HTTKMT2AHSP90AA1RAD52
SCHEMBL31345291 1.00 DNM1 (1.00) DNM1HTTKMT2AHSP90AA1RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170000723-A1 ORGANOPOLYSILOXANE AND HAIR COSMETIC AND METHOD FOR PRODUCING THEREOF SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-01-05 US disclosed
US-8927751-B2 Hair care cosmetic SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-01-06 US disclosed
US-20120149930-A1 HAIR CARE COSMETIC SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-06-14 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 (2 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-20170000723-A1 ORGANOPOLYSILOXANE AND HAIR COSMETIC AND METHOD FOR PRODUCING THEREOF NR5A2, H1-5, H1-2 DNM1 4636/4885HTT 493/4885KMT2A 1412/4885
US-20120149930-A1 HAIR CARE COSMETIC COL1A1, POLR1C, COL2A1 DNM1 4662/4885HTT 853/4885KMT2A 1813/4885

“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.