SCHEMBL19685907

SCHEMBL19685907

O=C1CCCc2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.50
GRM5 P41594 1/20 0.45
LMNA P02545 3/20 0.43
MAOA P21397 5/20 0.42
MAOB P27338 5/20 0.42
CYP2A6 P11509 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PRKCI P41743 1/20 0.41
PARP10 Q53GL7 1/20 0.40
PARP11 Q9NR21 1/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
PGR P06401 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL19685701 0.90 LMNA (0.43) HSD17B1GRM5LMNAMAOAMAOB
SCHEMBL19685906 0.86 MAOA (0.45) HSD17B1GRM5LMNAMAOAMAOB
SCHEMBL15613804 0.85 PARP10 (0.40) HSD17B1LMNASMN1; SMN2PARP10PARP11
SCHEMBL19686259 0.82 LMNA (0.40) LMNASMN1; SMN2PARP10PARP11MEN1
SCHEMBL19686129 0.82 GRM5 (0.42) HSD17B1GRM5LMNAMAOAMAOB
SCHEMBL15613806 0.82 KDM4E (0.42) LMNAPARP10PARP11ALDH1A1L3MBTL1
SCHEMBL7584101 0.81 HSD17B1 (0.73) HSD17B1GRM5LMNAMAOAMAOB
SCHEMBL19685744 0.80 LMNA (0.55) LMNAMAOAMAOBALDH1A1MAPT
SCHEMBL17209216 0.79 TDP2 (0.43) PARP10PARP11L3MBTL1HRH3KDM4E
SCHEMBL17209136 0.79 TDP2 (0.43) PARP10PARP11L3MBTL1HRH3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10714693-B2 Polycyclic compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-07-14 US disclosed
US-20170352817-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2017-12-07 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-10714693-B2 Polycyclic compound and organic electroluminescence device including the same CYC1, CCNA1, CYCS HSD17B1 2943/4885GRM5 4529/4885LMNA 3026/4885
US-20170352817-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME CYC1, CCNA1, CYCS HSD17B1 2943/4885GRM5 4529/4885LMNA 3026/4885

“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.