SCHEMBL774738

SCHEMBL774738

c1ccc(-c2[nH]cc3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.42
ESR2 Q92731 3/20 0.42
PARP1 P09874 1/20 0.41
NT5E P21589 1/20 0.39
SERPINE1 P05121 1/20 0.38
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
PLA2G10 O15496 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 4/20 0.38
CYP3A4 P08684 1/20 0.38
CYP19A1 P11511 1/20 0.37
ELANE P08246 1/20 0.37
KMT2A Q03164 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NPC1 O15118 1/20 0.37
GLA P06280 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL1672648 0.85 ALDH1A1 (0.43) PARP1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL13183725 0.84 RAB9A (0.42) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28457016 0.84 HSD17B10 (0.31) PARP1KDM4EALDH1A1HSD17B10MAPT
SCHEMBL30068451 0.81 CYP11B1 (0.53) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL21917644 0.79 KDM4E (0.47) PARP1KDM4EALDH1A1HPGDMAPT
SCHEMBL13183867 0.79 TNKS (0.43) PARP1SMN1; SMN2MPI
SCHEMBL13183740 0.75 NPC1 (0.41) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL16796324 0.74 CYP3A4 (0.39) KDM4EALDH1A1MAPTCYP3A4KMT2A
SCHEMBL647671 0.74 NISCH (0.40) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL11032603 0.74 F2 (0.47) ESR1ESR2KDM4EALDH1A1HPGD

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-11063228-B2 Metal-assisted delayed fluorescent emitters employing benzo-imidazo-phenanthridine and analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2021-07-13 US disclosed
US-20200119288-A1 Metal-Assisted Delayed Fluorescent Emitters Employing Benzo-imidazo-phenanthridine and Analogues UNITED STATES DEPARTMENT OF ENERGY 2020-04-16 US disclosed
US-8519153-B2 Compounds for fluorescent labeling BROCK UNIVERSITY (CA) 2013-08-27 US disclosed
US-8519153-B2 Compounds for fluorescent labeling BROCK UNIVERSITY (CA) 2013-08-27 US disclosed
US-8519153-B2 Compounds for fluorescent labeling BROCK UNIVERSITY (CA) 2013-08-27 US disclosed
US-20120071644-A1 COMPOUNDS FOR FLUORESCENT LABELING BROCK UNIVERSITY (CA) 2012-03-22 US disclosed
US-20120071644-A1 COMPOUNDS FOR FLUORESCENT LABELING BROCK UNIVERSITY (CA) 2012-03-22 US disclosed
US-20120071644-A1 COMPOUNDS FOR FLUORESCENT LABELING BROCK UNIVERSITY (CA) 2012-03-22 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 (3 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-20200119288-A1 Metal-Assisted Delayed Fluorescent Emitters Employing Benzo-imidazo-phenanthridine and Analogues IK, HELZ, SUN2 ESR1 1898/4885ESR2 2252/4885PARP1 585/4885
US-11063228-B2 Metal-assisted delayed fluorescent emitters employing benzo-imidazo-phenanthridine and analogues IK, HELZ, SUN2 ESR1 1898/4885ESR2 2252/4885PARP1 585/4885
US-20120071644-A1 COMPOUNDS FOR FLUORESCENT LABELING FBL, POLR1E, POLRMT ESR1 2061/4885ESR2 1223/4885PARP1 485/4885

“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.