SCHEMBL20132835

SCHEMBL20132835

CCCCCOC(=O)C[C@H](CC)CCCC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
TSHR P16473 2/20 0.53
CYP3A4 P08684 2/20 0.53
ATM Q13315 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
RECQL P46063 1/20 0.51
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAD52 P43351 1/20 0.46
FAAH O00519 1/20 0.45
CA2 P00918 3/20 0.44
DGKA P23743 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HTR2C P28335 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43

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
SCHEMBL28399097 0.95 NAAA (0.56) NAAATSHRCYP3A4ATMTDP1
SCHEMBL28400799 0.95 NAAA (0.56) NAAATSHRCYP3A4ATMTDP1
SCHEMBL28393389 0.95 NAAA (0.56) NAAATSHRCYP3A4ATMTDP1
SCHEMBL28401694 0.91 NAAA (0.56) NAAATSHRCYP3A4ATMTDP1
SCHEMBL28843161 0.91 NAAA (0.56) NAAATSHRCYP3A4ATMTDP1
SCHEMBL25125762 0.89 NAAA (0.58) NAAATSHRCYP3A4ATMTDP1
SCHEMBL28393949 0.89 NAAA (0.58) NAAATSHRCYP3A4ATMTDP1
SCHEMBL28393966 0.89 NAAA (0.58) NAAATSHRCYP3A4ATMTDP1
SCHEMBL22608994 0.89 NAAA (0.57) NAAATSHRCYP3A4ATMTDP1
SCHEMBL11087515 0.89 NAAA (0.57) NAAATSHRCYP3A4ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180125815-A1 CDC7 KINASE INHIBITORS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2018-05-10 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-20180125815-A1 CDC7 KINASE INHIBITORS AND USES THEREOF CDC7, CDC37, CDCA2 NAAA 3960/4885TSHR 4850/4885CYP3A4 2305/4885

“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.