SCHEMBL17563623

SCHEMBL17563623

CC1(C)c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)ccc2-c2cc3c4ccccc4c4ccccc4c3cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACA Q13085 2/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ PDK2 Q15119 2/20 0.38
▸ HPGD P15428 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ ADORA3 P0DMS8 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
SCHEMBL17563631 0.93 ACACA (0.38) ACACAMEN1KMT2AHPGDMAPT
SCHEMBL24169327 0.89 PDK2 (0.42) ACACAMEN1KMT2APDK2HPGD
SCHEMBL24169364 0.89 PDK2 (0.42) ACACAMEN1KMT2APDK2HPGD
SCHEMBL17206460 0.89 MEN1 (0.44) ACACAMEN1KMT2APDK2HPGD
SCHEMBL17563619 0.89 MEN1 (0.46) ACACAMEN1KMT2AHPGDMAPT
SCHEMBL14425879 0.87 MEN1 (0.43) ACACAMEN1KMT2APDK2HPGD
SCHEMBL14425899 0.87 MEN1 (0.43) ACACAMEN1KMT2APDK2HPGD
SCHEMBL17563653 0.86 MEN1 (0.43) ACACAMEN1KMT2APDK2HPGD
SCHEMBL14425534 0.85 MEN1 (0.45) MEN1KMT2APDK2HPGDMAPT
SCHEMBL22243780 0.85 PGR (0.37) ACACAMEN1KMT2APDK2HPGD

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-10032990-B2 Organic composition, and organic optoelectronic element and display device SAMSUNG SDI CO., LTD. (KR) 2018-07-24 — — US disclosed
US-10032990-B2 Organic composition, and organic optoelectronic element and display device SAMSUNG SDI CO., LTD. (KR) 2018-07-24 — — US disclosed
US-20160072073-A1 ORGANIC COMPOSITION, AND ORGANIC OPTOELECTRONIC ELEMENT AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-03-10 — — US disclosed
US-20160072073-A1 ORGANIC COMPOSITION, AND ORGANIC OPTOELECTRONIC ELEMENT AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-03-10 — — 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-10032990-B2 Organic composition, and organic optoelectronic element and display device OCIAD2, OCIAD1, OR51E2 ACACA 2261/4885MEN1 2329/4885KMT2A 3582/4885
US-20160072073-A1 ORGANIC COMPOSITION, AND ORGANIC OPTOELECTRONIC ELEMENT AND DISPLAY DEVICE OCIAD2, OCIAD1, OR51E2 ACACA 2261/4885MEN1 2329/4885KMT2A 3582/4885

“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.

Send feedback