SCHEMBL6754272

SCHEMBL6754272

COc1ccccc1-c1cncnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.54
CYP3A4 P08684 8/20 0.54
ALDH1A1 P00352 5/20 0.54
HSD17B10 Q99714 5/20 0.54
TDP1 Q9NUW8 3/20 0.54
LMNA P02545 6/20 0.50
CYP2D6 P10635 6/20 0.50
CYP2C19 P33261 6/20 0.50
ALOX15 P16050 3/20 0.50
KDM4E B2RXH2 3/20 0.50
GAA P10253 1/20 0.50
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.48
ERN1 O75460 1/20 0.47
METAP2 P50579 1/20 0.47
APP P05067 1/20 0.47
TSHR P16473 2/20 0.47

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
SCHEMBL29350021 0.85 ERN1 (0.47) CYP1A2CYP3A4ALDH1A1HSD17B10TDP1
SCHEMBL8137336 0.81 POLB (0.64) CYP1A2CYP3A4ALDH1A1HSD17B10CYP2D6
SCHEMBL1896467 0.78 PDGFRB (0.49) CYP1A2CYP3A4ALDH1A1HSD17B10TDP1
SCHEMBL28788981 0.78 FYN (0.59) CYP1A2CYP3A4ALDH1A1HSD17B10TDP1
SCHEMBL9910946 0.78 PDGFRB (0.53) ALDH1A1HSD17B10GAAPDGFRBPDGFRA
SCHEMBL14830673 0.78 CYP17A1 (0.51) CYP1A2CYP3A4ALDH1A1HSD17B10TDP1
SCHEMBL30141977 0.78 RAB9A (0.61) ALDH1A1LMNAKDM4EGAAPDGFRB
SCHEMBL4779549 0.78 RAB9A (0.61) ALDH1A1LMNAKDM4EGAAPDGFRB
SCHEMBL16322967 0.77 PDGFRB (0.55) CYP1A2CYP3A4ALDH1A1HSD17B10TDP1
SCHEMBL3667583 0.77 PDGFRB (0.44) CYP1A2CYP3A4ALDH1A1HSD17B10TDP1

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 13 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
CN-102014900-B Method of treating cancer using a neuropeptide Y5R (NPY5R) antagonist UNIV HEALTH NETWORK 2014-04-02 CN disclosed
CN-102014900-A Method of treating cancer using a neuropeptide Y5R (NPY5R) antagonist UNIV HEALTH NETWORK 2011-04-13 CN disclosed
US-20040087798-A1 Novel amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 US disclosed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP disclosed
US-4417050-A Fungicidal, herbicidal and plant growth-regulating pyrimidyl-containing ethers CHEVRON RESEARCH COMPANY (US) 1983-11-22 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 (5 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 CYP1A2 3967/4885CYP3A4 4348/4885ALDH1A1 2225/4885
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC CYP1A2 4047/4885CYP3A4 4373/4885ALDH1A1 2210/4885
US-10189016-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water SOD1, MPO, TFRC CYP1A2 3967/4885CYP3A4 4348/4885ALDH1A1 2225/4885
US-20040087798-A1 Novel amide compounds H1-2, H1-0, H1-3 CYP1A2 1021/4885CYP3A4 2997/4885ALDH1A1 1144/4885
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC CYP1A2 3967/4885CYP3A4 4348/4885ALDH1A1 2225/4885

“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.