SCHEMBL18253151

SCHEMBL18253151

COC(=O)CCc1ccc(-c2cncnc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.49
HRH3 Q9Y5N1 1/20 0.49
CYP11B1 P15538 6/20 0.45
CYP11B2 P19099 6/20 0.45
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC3 O15379 1/20 0.42
F2RL1 P55085 1/20 0.41
IDO1 P14902 1/20 0.41
FFAR1 O14842 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL12087505 0.84 HRH3 (0.51) HDAC1HRH3CYP11B1CYP11B2CYP4F2
SCHEMBL12646562 0.84 HDAC1 (0.60) HDAC1HRH3CYP11B1CYP11B2CCNC
SCHEMBL5046698 0.84 HDAC1 (0.43) HDAC1CYP11B1CYP11B2CCNCCDK8
SCHEMBL7013456 0.83 CYP11B1 (0.46) HDAC1CYP11B1CYP11B2CYP4F2CYP4A11
SCHEMBL3664657 0.81 CYP11B1 (0.48) HDAC1HRH3CYP11B1CYP11B2CCNC
SCHEMBL22922181 0.81 CYP4F2 (0.59) HRH3CYP4F2CYP4A11ADRB2ADRB1
SCHEMBL23512353 0.80 HSD17B10 (0.54) HDAC1HRH3CYP4F2CYP4A11ADRB2
SCHEMBL480043 0.80 FFAR1 (0.65) HDAC1HRH3HDAC2FFAR1
SCHEMBL12370800 0.80 HRH3 (0.53) HRH3CYP4F2CYP4A11ADRB2ADRB1
SCHEMBL4827768 0.80 FFAR1 (0.65) HDAC1HRH3HDAC2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190099747-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2019-04-04 US disclosed
US-10189016-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-01-29 US disclosed
US-9956551-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-01 US disclosed
US-9956551-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-01 US disclosed
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2017-11-30 US disclosed
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2017-11-30 US disclosed
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER LIPSHUTZ BRUCE H (US) 2016-11-24 US disclosed
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER LIPSHUTZ BRUCE H (US) 2016-11-24 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 (4 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-20190099747-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC HDAC1 2411/4885HRH3 1469/4885CYP11B1 3420/4885
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC HDAC1 2920/4885HRH3 1857/4885CYP11B1 3427/4885
US-10189016-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water SOD1, MPO, TFRC HDAC1 2411/4885HRH3 1469/4885CYP11B1 3420/4885
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC HDAC1 2411/4885HRH3 1469/4885CYP11B1 3420/4885

“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.