SCHEMBL19919635

SCHEMBL19919635

Cc1cc(C)c(-c2ccc3c4ccccc4n(-c4cc(C#N)c(-c5cc(C)nc(C)c5)cc4-n4c5ccccc5c5ccc(-c6c(C)cc(C)cc6C)cc54)c3c2)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 3/20 0.31
GLA P06280 3/20 0.31
GAA P10253 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
NSD2 O96028 1/20 0.31
HPGD P15428 2/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
S1PR2 O95136 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
MAT2A P31153 1/20 0.31
PDE9A O76083 1/20 0.30
PDE1C Q14123 1/20 0.30
PHGDH O43175 1/20 0.30

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
SCHEMBL19913214 0.95 ALDH1A1 (0.31) ALDH1A1KDM4EHSD17B10GRM2
SCHEMBL19913245 0.94 ALDH1A1 (0.31) ALDH1A1NPSR1KDM4EGLAGAA
SCHEMBL23487294 0.91 ABCG2 (0.32) ALDH1A1NPSR1KDM4EGLAGAA
SCHEMBL19919639 0.90 GRIN1 (0.33) ALDH1A1NPSR1KDM4EGLACYP1A2
SCHEMBL19913249 0.89 KDM4E (0.33) ALDH1A1KDM4EHSD17B10GRM2
SCHEMBL19919833 0.89 GRM2 (0.35) ALDH1A1NPSR1KDM4EGLAGAA
SCHEMBL19919628 0.89 SQOR (0.34) ALDH1A1NPSR1KDM4ECYP1A2CYP2C9
SCHEMBL19919838 0.89 MAOA (0.34) ALDH1A1NPSR1KDM4EGLAGAA
SCHEMBL19909537 0.88 AR (0.40) ALDH1A1NPSR1KDM4EGLAGAA
SCHEMBL19913212 0.87 CYP1A2 (0.38) ALDH1A1NPSR1KDM4EGLACYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11588114-B2 Organic molecules for use in optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-02-21 US disclosed
US-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-02 US disclosed
US-10665792-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2020-05-26 US disclosed
US-20180062085-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 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-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OPRM1, OR51E2 ALDH1A1 297/4885NPSR1 876/4885KDM4E 4526/4885
US-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 ALDH1A1 882/4885NPSR1 3075/4885KDM4E 3845/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 ALDH1A1 297/4885NPSR1 876/4885KDM4E 4526/4885

“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.