SCHEMBL20150306

SCHEMBL20150306

Cc1cccc(-c2ccc3c4ccc(-c5cccc(C)c5)cc4n(-c4cc(-c5nc(C)nc(C)n5)ccc4C#N)c3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.43
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.37
KDM4A O75164 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
IMPDH2 P12268 1/20 0.35
LRRK2 Q5S007 2/20 0.34
NR1I3 Q14994 1/20 0.34

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
SCHEMBL20150302 0.96 AR (0.40) ARALDH1A1HPGDMEN1POLB
SCHEMBL20114668 0.91 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EL3MBTL1SMN1; SMN2
SCHEMBL20114998 0.91 KDM5B (0.35) ARALDH1A1KDM5BCYP11B1CYP11B2
SCHEMBL20150331 0.91 ALDH1A1 (0.35) ALDH1A1HPGDKDM4EMAPTL3MBTL1
SCHEMBL20156257 0.90 CYP1A2 (0.40) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL20150296 0.90 AR (0.39) ARALDH1A1RAB9AKDM4EL3MBTL1
SCHEMBL20150292 0.90 MAOA (0.35) ARALDH1A1KDM4ECYP11B1CYP11B2
SCHEMBL20150334 0.89 L3MBTL1 (0.44) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL20150310 0.88 GRIN1 (0.33) ARALDH1A1HPGDKDM5BKDM4E
SCHEMBL20114523 0.88 ALDH1A1 (0.38) ALDH1A1HPGDMEN1KMT2AKDM4E

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 AR 3892/4885ALDH1A1 387/4885HPGD 2446/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 AR 3892/4885ALDH1A1 387/4885HPGD 2446/4885

“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.