SCHEMBL13325993

SCHEMBL13325993

CC(C)(C)P(c1nnn(-c2ccccc2)c1-c1cccc2ccccc12)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.42
TDO2 P48775 7/20 0.42
DHODH Q02127 2/20 0.36
MAPT P10636 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
HSD11B1 P28845 1/20 0.33
HTT P42858 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
SCHEMBL13325757 0.80 IDO1 (0.39) IDO1TDO2DHODHMAPTALDH1A1
SCHEMBL9908306 0.80 DHODH (0.39) IDO1TDO2DHODHALDH1A1HSD17B10
SCHEMBL13325724 0.79 NPC1 (0.41) IDO1TDO2DHODHMAPTCYP2C9
SCHEMBL13325639 0.78 IDO1 (0.48) IDO1TDO2DHODHMAPTCYP2C9
SCHEMBL13325987 0.76 IDO1 (0.39) IDO1TDO2DHODHALDH1A1HSD11B1
SCHEMBL13325762 0.74 FGFR1 (0.40) IDO1TDO2DHODHMAPTALDH1A1
SCHEMBL2967466 0.74 IDO1 (0.54) IDO1TDO2DHODHSMN1; SMN2
SCHEMBL5960134 0.71 IDO1 (0.54) IDO1TDO2DHODHMAPTALDH1A1
SCHEMBL29042740 0.67 MPO (0.49) IDO1TDO2MAPTCYP2C9CYP2C19
SCHEMBL15413314 0.66 ALDH1A1 (0.52) MAPTCYP2C9CYP2C19ALDH1A1HSD17B10

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-7709655-B2 Clickphosphines for transition metal-catalyzed reactions THE PENN STATE RESEARCH FOUNDATION (US) 2010-05-04 US disclosed
US-20070088166-A1 Clickphosphines for transition metal-catalyzed reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-04-19 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 (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-20070088166-A1 Clickphosphines for transition metal-catalyzed reactions WEE1, WEE2, ITK IDO1 2304/4885TDO2 2237/4885DHODH 1933/4885

“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.