SCHEMBL18748057

SCHEMBL18748057

CCc1ccc2c(c1)nc(CC)c1ccc3ccc4cccnc4c3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MAPT P10636 3/20 0.40
▸ CCR1 P32246 4/20 0.38
▸ CCR8 P51685 4/20 0.38
▸ CCR5 P51681 3/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ GMNN O75496 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ MMP8 P22894 1/20 0.37

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
SCHEMBL18748059 0.86 CYP3A4 (0.39) NPSR1MAPTLMNAKDM4ECYP3A4
SCHEMBL17997990 0.80 MAPT (0.49) NPSR1MAPTCCR1CCR8CCR5
SCHEMBL18748051 0.75 KDM4E (0.36) NPSR1MAPTKDM4ETP53HTT
SCHEMBL18748054 0.74 CYP1A2 (0.39) MAPTLMNATP53SMN1; SMN2ELANE
SCHEMBL464410 0.71 ALDH1A1 (0.58) LMNAEGLN1TP53CYP3A4CYP2D6
SCHEMBL1007451 0.70 KCNH2 (0.40) MAPTCCR1CCR8KDM4EHSP90AA1
SCHEMBL18748049 0.68 POLB (0.50) L3MBTL1LMNAKDM4ECYP3A4TSHR
SCHEMBL19232997 0.67 CCR1 (0.42) NPSR1MAPTCCR1CCR8L3MBTL1
SCHEMBL19051731 0.67 NPSR1 (0.46) NPSR1MAPTCCR1CCR8L3MBTL1
SCHEMBL18907188 0.66 CYP1A2 (0.56) MAPTLMNAKDM4ESMN1; SMN2ELANE

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 NPSR1 4537/4885MAPT 1249/4885CCR1 3215/4885

“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