SCHEMBL13878629

SCHEMBL13878629

CCCCCCCCCC(CCCCCCCC)(CCCCCCCN1CNC(=O)NC1)CCCCC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
GNAO1 P09471 6/20 0.35
GNAI3 P08754 5/20 0.35
GNAI1 P63096 5/20 0.35
ALOX5 P09917 2/20 0.34
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
MGLL Q99685 3/20 0.33
ALDH1A1 P00352 2/20 0.33
FAAH O00519 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP3A4 P08684 1/20 0.33
G6PD P11413 1/20 0.33

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
SCHEMBL270149 0.79 KMT2A (0.57) KMT2AALDH1A1TP53HPGD
SCHEMBL268470 0.71 KMT2A (0.61) KMT2AALDH1A1CYP2C19CYP3A4
SCHEMBL8029443 0.71 ALOX5 (0.41) GNAO1GNAI3GNAI1ALOX5PTGS1
SCHEMBL19336853 0.71 ADORA2B (0.43) PTGS1PTGS2MGLLFAAHTSHR
Hydrochloric Acid SCHEMBL27558043 0.70 GNAO1 (0.43) GNAO1GNAI3GNAI1ALDH1A1CYP1A2
SCHEMBL3310643 0.69 GNAO1 (0.46) GNAO1GNAI3GNAI1ALDH1A1CYP1A2
SCHEMBL8751413 0.69 GNAO1 (0.46) GNAO1GNAI3GNAI1ALDH1A1CYP1A2
SCHEMBL3313743 0.69 GNAO1 (0.46) GNAO1GNAI3GNAI1ALDH1A1CYP1A2
SCHEMBL8057789 0.69 MAPT (0.53) KMT2AGNAO1GNAI3GNAI1ALDH1A1
SCHEMBL25867919 0.69 RGS4 (0.43) PTGS1PTGS2MGLLFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105260-A1 Molecules to Enhance Percutaneous Delivery and Methods for Discovery Therefor REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2009-04-23 US disclosed
US-20090105260-A1 Molecules to Enhance Percutaneous Delivery and Methods for Discovery Therefor REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2009-04-23 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-20090105260-A1 Molecules to Enhance Percutaneous Delivery and Methods for Discovery Therefor NOTUM, TRPV1, TRPV4 KMT2A 4845/4885GNAO1 4632/4885GNAI3 4218/4885

“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.