SCHEMBL18253148

SCHEMBL18253148

c1ccc2c(-c3cncnc3)cccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.52
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 2/20 0.47
ATM Q13315 2/20 0.46
CYP11B2 P19099 2/20 0.45
MAPK1 P28482 3/20 0.44
HSD17B10 Q99714 3/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
ENPP3 O14638 1/20 0.44
ENPP1 P22413 1/20 0.44
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
TSHR P16473 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TP53 P04637 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
SCHEMBL26260000 0.89 ATM (0.50) TNFALDH1A1ATMCYP11B2HDAC8
SCHEMBL14461170 0.85 ALDH1A1 (0.43) TNFALDH1A1HPGDKDM4EMAPT
SCHEMBL13915447 0.84 ATM (0.56) TNFALDH1A1ATMCYP11B2CYP11B1
SCHEMBL21536825 0.81 ALDH1A1 (0.41) TNFALDH1A1HPGDKDM4EMAPT
SCHEMBL26260017 0.80 CYP1B1 (0.51) TNFALDH1A1HPGDKDM4EMAPT
SCHEMBL10296012 0.80 CYP11B1 (0.66) TNFALDH1A1HPGDKDM4EMAPT
SCHEMBL13804244 0.78 ATM (0.40) TNFATMCYP11B2HDAC8CYP11B1
SCHEMBL14461186 0.77 CYP11B1 (0.62) TNFALDH1A1HPGDKDM4EMAPT
SCHEMBL12263384 0.77 CYP11B1 (0.42) TNFALDH1A1HPGDKDM4EMAPT
SCHEMBL3798335 0.77 CA12 (0.62) TNFALDH1A1HPGDKDM4EMAPT

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-20230287262-A1 PHOTON UPCONVERSION COMPOSITION, FILM, METHOD FOR CONVERTING VISIBLE LIGHT INTO ULTRAVIOLET LIGHT, AND COMPOUND KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2023-09-14 US disclosed
US-20230287262-A1 PHOTON UPCONVERSION COMPOSITION, FILM, METHOD FOR CONVERTING VISIBLE LIGHT INTO ULTRAVIOLET LIGHT, AND COMPOUND KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2023-09-14 US disclosed
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
WO-2018081672-A1 BIARYL LIGANDS FOR TRANSITION METAL-CATALYZED REACTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-03 WO disclosed
US-20180117574-A1 BIARYL LIGANDS FOR TRANSITION METAL-CATALYZED REACTIONS UNIV CALIFORNIA (US) 2018-05-03 US disclosed
US-20180117574-A1 BIARYL LIGANDS FOR TRANSITION METAL-CATALYZED REACTIONS UNIV CALIFORNIA (US) 2018-05-03 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 (6 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 TNF 1528/4885ALDH1A1 2225/4885HPGD 1006/4885
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC TNF 1599/4885ALDH1A1 2210/4885HPGD 823/4885
US-20180117574-A1 BIARYL LIGANDS FOR TRANSITION METAL-CATALYZED REACTIONS EPHA2, L1CAM, ERBB2 TNF 4701/4885ALDH1A1 801/4885HPGD 2910/4885
US-10189016-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water SOD1, MPO, TFRC TNF 1528/4885ALDH1A1 2225/4885HPGD 1006/4885
US-20230287262-A1 PHOTON UPCONVERSION COMPOSITION, FILM, METHOD FOR CONVERTING VISIBLE LIGHT INTO ULTRAVIOLET LIGHT, AND COMPOUND NUDC, CCNL2, SPIN3 TNF 2973/4885ALDH1A1 2125/4885HPGD 3758/4885
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC TNF 1528/4885ALDH1A1 2225/4885HPGD 1006/4885

“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.