SCHEMBL14073530

SCHEMBL14073530

Cc1cc(C)c(-c2cccc(-c3ccccn3)c2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.48
KDM4E B2RXH2 5/20 0.45
NPC1 O15118 1/20 0.45
CYP2A6 P11509 1/20 0.43
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
TGFBR1 P36897 1/20 0.42
CCR1 P32246 3/20 0.42
CCR5 P51681 3/20 0.42
CCR8 P51685 3/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
METAP1 P53582 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
TLR4 O00206 1/20 0.41
TLR2 O60603 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
SCHEMBL14073534 0.90 GRM5 (0.57) GRM5KDM4ENPC1CYP2A6HTR1A
SCHEMBL3612264 0.84 KDM4E (0.55) GRM5KDM4ENPC1CCR1CCR5
SCHEMBL29633944 0.84 KDM4E (0.55) GRM5KDM4ENPC1CCR1CCR5
SCHEMBL13799169 0.83 GRM5 (0.50) GRM5KDM4ENPC1CYP2A6HTR1A
SCHEMBL24104640 0.83 TGFBR1 (0.42) GRM5CYP2A6TGFBR1BRD4
SCHEMBL29679578 0.82 KDM4E (0.62) GRM5KDM4ENPC1CYP2A6HTR1A
SCHEMBL502867 0.82 KDM4E (0.62) GRM5KDM4ENPC1CYP2A6HTR1A
SCHEMBL17426512 0.81 TGFBR1 (0.47) GRM5CYP2A6TGFBR1BRD4
SCHEMBL14979453 0.81 GRM5 (0.59) GRM5KDM4ENPC1CYP2A6HTR1A
SCHEMBL29638128 0.80 GRM5 (0.62) GRM5KDM4ENPC1CYP2A6HTR1A

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-20230322691-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2023-10-12 US disclosed
US-20230157166-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
US-7429426-B2 Organometallic compounds for use in electroluminescent devices THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2008-09-30 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-20230322691-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CCNT1, CCNE2, SCO2 GRM5 3839/4885KDM4E 3380/4885NPC1 1944/4885
US-20230157166-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT OR10J3, OR51E2, OLA1 GRM5 3208/4885KDM4E 3180/4885NPC1 1992/4885

“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.