SCHEMBL18748059

SCHEMBL18748059

CCc1ccc2c(c1)nc(CC)c1ccc3ccc4ncccc4c3c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ELANE P08246 2/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ RAD52 P43351 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TYMS P04818 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.34
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ HTR2B P41595 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
SCHEMBL18748057 0.86 NPSR1 (0.41) CYP3A4LMNAMAPTKDM4EELANE
SCHEMBL18748051 0.79 KDM4E (0.36) MAPTKDM4EELANESMN1; SMN2NPSR1
SCHEMBL18748054 0.78 CYP1A2 (0.39) LMNAMAPTELANESMN1; SMN2RAD52
SCHEMBL464410 0.72 ALDH1A1 (0.58) CYP3A4LMNAMEN1ALDH1A1HTT
SCHEMBL18748049 0.72 POLB (0.50) CYP3A4LMNAKDM4ESMN1; SMN2RAD52
SCHEMBL17997990 0.70 MAPT (0.49) CYP3A4LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL11833 0.69 ALDH1A1 (0.58) MAPTKDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL1007451 0.69 KCNH2 (0.40) MAPTKDM4EELANESMN1; SMN2MEN1
SCHEMBL19232997 0.68 CCR1 (0.42) CYP3A4LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL19051735 0.68 KIF11 (0.41) LMNAMAPTKDM4EELANESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170110671-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-04-20 — — 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 (1 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-20170110671-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LOXL1, ELOVL1, LPO CYP3A4 600/4885LMNA 1653/4885MAPT 1249/4885

“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.

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