SCHEMBL18253147

SCHEMBL18253147

Cc1ccc(-c2cccc3ccccc23)c(C=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.50
MAOB P27338 1/20 0.50
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2A6 P11509 3/20 0.41
ELANE P08246 1/20 0.41
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALPL P05186 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL31177892 0.81 MEN1 (0.48) CA12CA1CA2CA9CYP2A6
SCHEMBL548462 0.81 MEN1 (0.48) CA12CA1CA2CA9CYP2A6
SCHEMBL1646735 0.81 BACE1 (0.49) AKR1C3AKR1C2ERN1BACE1
SCHEMBL14141574 0.81 ERN1 (0.43) CYP1A2CYP2A6SMN1; SMN2MAPTKDM4E
SCHEMBL6548332 0.78 CA12 (0.54) MAOAMAOBCA12CA1CA2
SCHEMBL28476262 0.77 C1R (0.43) CYP1A2ELANESMN1; SMN2MAPTRAB9A
SCHEMBL3360160 0.76 MAOA (0.51) MAOAMAOBCA12CA1CA2
SCHEMBL6745434 0.75 ALDH1A1 (0.47) AKR1C2SMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL18255921 0.75 GAA (0.50) RAB9AGAATDP1
SCHEMBL16558542 0.75 MAOA (0.50) MAOAMAOBCA12CA1CA2

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-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-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 (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-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC MAOA 375/4885MAOB 583/4885CA12 103/4885
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC MAOA 535/4885MAOB 753/4885CA12 110/4885

“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.