SCHEMBL20150403

SCHEMBL20150403

N#Cc1ccc(-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.34
RXRA P19793 1/20 0.34
RXRG P48443 1/20 0.34
ICMT O60725 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
ABCG2 Q9UNQ0 5/20 0.33
TACR1 P25103 2/20 0.33

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
SCHEMBL20849029 0.96 CYP1A2 (0.35) PTGER4RXRARXRGICMTLMNA
SCHEMBL22243073 0.96 CYP1A2 (0.35) PTGER4RXRARXRGICMTLMNA
SCHEMBL24370207 0.95 PTGER4 (0.33) PTGER4RXRARXRGLMNAMEN1
SCHEMBL21090888 0.94 GRIN1 (0.35) RXRARXRGLMNAMEN1ALDH1A1
SCHEMBL22242952 0.94 CYP1A2 (0.34) PTGER4RXRARXRGICMTLMNA
SCHEMBL21364841 0.94 TACR1 (0.35) PTGER4RXRARXRGABCG2TACR1
SCHEMBL20849207 0.94 CYP1A2 (0.34) PTGER4RXRARXRGICMTLMNA
SCHEMBL20849585 0.93 RXRA (0.35) RXRARXRGICMTLMNAMEN1
SCHEMBL20156276 0.93 PTGER4 (0.34) PTGER4RXRARXRGICMTLMNA
SCHEMBL22242994 0.92 PDPK1 (0.33) PTGER4RXRARXRGICMTLMNA

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-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-09-24 US disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 US disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 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-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, EPCAM, F12 PTGER4 1809/4885RXRA 2913/4885RXRG 2999/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 PTGER4 1809/4885RXRA 2913/4885RXRG 2999/4885

“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.