SCHEMBL4412643

SCHEMBL4412643

CCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
HDAC6 Q9UBN7 4/20 0.45
NOD1 Q9Y239 4/20 0.45
HDAC1 Q13547 2/20 0.45
POLB P06746 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
FAAH O00519 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL28808814 1.00 KMT2A (0.47) KMT2AHDAC6NOD1HDAC1POLB
SCHEMBL30401325 0.94 SLC6A5 (0.52) KMT2ASLC6A5FAAH
SCHEMBL27926541 0.92 HDAC6 (0.54) HDAC6HDAC1SLC6A5
SCHEMBL18796598 0.92 HDAC6 (0.54) HDAC6HDAC1SLC6A5
SCHEMBL23250545 0.88 LMNA (0.42) KMT2AHDAC6NOD1HDAC1SLC6A5
SCHEMBL27199087 0.88 LMNA (0.42) KMT2AHDAC6NOD1HDAC1SLC6A5
SCHEMBL23250523 0.88 LMNA (0.42) KMT2AHDAC6NOD1HDAC1SLC6A5
SCHEMBL9664377 0.87 SLC6A5 (0.54) KMT2ANOD1SLC6A5ITGB3ITGA2B
SCHEMBL9665935 0.87 SLC6A5 (0.54) KMT2ANOD1SLC6A5ITGB3ITGA2B
SCHEMBL13279668 0.87 SLC6A5 (0.54) KMT2ANOD1SLC6A5ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284265-B1 Preparation of organic acid salts of cationic surfactants GHARE VISHWAS SADHU (IN) 2016-03-15 US claimed
US-20120328544-A1 Dermatological Treatment Methods And Formulations Nevada Naturals, Inc. (US) 2012-12-27 US claimed
US-8212061-B1 Preparation of organic acid salts of cationic surfactants GHARE VISHWAS SADHU (IN) 2012-07-03 US claimed
US-20090318557-A1 Dermatological compositions STOCKEL RICHARD F 2009-12-24 US claimed
US-9284265-B1 Preparation of organic acid salts of cationic surfactants GHARE VISHWAS SADHU (IN) 2016-03-15 US disclosed
US-20120328544-A1 Dermatological Treatment Methods And Formulations Nevada Naturals, Inc. (US) 2012-12-27 US disclosed
US-8212061-B1 Preparation of organic acid salts of cationic surfactants GHARE VISHWAS SADHU (IN) 2012-07-03 US disclosed
US-20090318557-A1 Dermatological compositions STOCKEL RICHARD F 2009-12-24 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-20090318557-A1 Dermatological compositions MTX1, CD68, GRN KMT2A 3441/4885HDAC6 944/4885NOD1 99/4885

“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.