SCHEMBL17099774

SCHEMBL17099774

CCOC(=O)CCCCCOP(CCC#N)N(C(C)C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.34
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 3/20 0.33
DNM1 Q05193 1/20 0.33
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
EPHX2 P34913 5/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL2231232 0.84 DGKA (0.35) DGKACYP1A2ALDH1A1ALOX15TDP1
SCHEMBL15617982 0.81 TSHR (0.38) TSHR
SCHEMBL15268078 0.77
SCHEMBL8657397 0.76 CYP1A2 (0.52) DGKACYP1A2ALDH1A1ALOX15TDP1
SCHEMBL9355489 0.76 CYP1A2 (0.52) DGKACYP1A2ALDH1A1ALOX15TDP1
SCHEMBL9351131 0.76 CYP1A2 (0.52) DGKACYP1A2ALDH1A1ALOX15TDP1
SCHEMBL9355503 0.76 CYP1A2 (0.52) DGKACYP1A2ALDH1A1ALOX15TDP1
SCHEMBL9355058 0.76 CYP1A2 (0.52) DGKACYP1A2ALDH1A1ALOX15TDP1
SCHEMBL9355150 0.76 CYP1A2 (0.52) DGKACYP1A2ALDH1A1ALOX15TDP1
SCHEMBL3052283 0.76 CYP1A2 (0.52) DGKACYP1A2ALDH1A1ALOX15TDP1

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-20170173107-A1 Compstatin Analogs With Improved Potency and Pharmacokinetic Properties THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-06-22 US disclosed
WO-2015142701-A1 COMPSTATIN ANALOGS WITH IMPROVED POTENCY AND PHARMACOKINETIC PROPERTIES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-09-24 WO disclosed
US-20150080427-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 AUSPEX PHARMACEUTICALS, INC. 2015-03-19 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-20150080427-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 SLC18A2, SLC6A2, SLC18A1 DGKA 3573/4885CYP1A2 280/4885ALDH1A1 824/4885
US-20170173107-A1 Compstatin Analogs With Improved Potency and Pharmacokinetic Properties CFB, C3AR1, C9 DGKA 4764/4885CYP1A2 4721/4885ALDH1A1 4879/4885

“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.