SCHEMBL3036312

SCHEMBL3036312

O=C(O)C1(N=NC2(C(=O)O)CCCC2)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.37
FFAR3 O14843 1/20 0.35
AKR1C1 Q04828 1/20 0.34
NPSR1 Q6W5P4 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
BLM P54132 1/20 0.30
CACNA2D1 P54289 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8165163 0.97 CYP2C19 (0.41) CYP2C19FFAR3AKR1C1USP2ALDH1A1
SCHEMBL8165164 0.97 CYP2C19 (0.41) CYP2C19FFAR3AKR1C1USP2ALDH1A1
SCHEMBL4435261 0.81 NPSR1 (0.46) CYP2C19NPSR1ALDH1A1LMNATSHR
SCHEMBL8510908 0.78 FFAR3 (0.31) FFAR3
SCHEMBL8510912 0.78 FFAR3 (0.31) FFAR3
SCHEMBL11210884 0.78 CYP2C19 (0.32) CYP2C19FFAR3
SCHEMBL21407992 0.74
SCHEMBL4187606 0.72 CYP2C19 (0.35) CYP2C19
SCHEMBL30640426 0.72 CYP2C19 (0.35) CYP2C19FFAR3NPSR1LMNACYP1A2
SCHEMBL9770265 0.72 ALDH1A1 (0.36) CYP2C19USP2ALDH1A1LMNACYP1A2

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-20100215604-A1 Cosmetic Compositions with Chitosan and Silicone Elastomers HENKEL AG & CO. KGAA (DE) 2010-08-26 US disclosed
US-20070292379-A1 HAIR TREATING AGENT COMPRISING CORNEOCYTE PROTEINS OR CORNEOCYTE POLYPEPTIDES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-12-20 US disclosed
EP-0763357-A1 Bisguanidines containing pharmaceutical compositions Blank, Izhak (IL) 1997-03-19 EP 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-20100215604-A1 Cosmetic Compositions with Chitosan and Silicone Elastomers HDAC10, HDAC1, HDAC3 CYP2C19 4197/4885FFAR3 3053/4885AKR1C1 3551/4885
US-20070292379-A1 HAIR TREATING AGENT COMPRISING CORNEOCYTE PROTEINS OR CORNEOCYTE POLYPEPTIDES KRT18, S100A4, S100P CYP2C19 4828/4885FFAR3 3911/4885AKR1C1 3615/4885

“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.