SCHEMBL14884191

SCHEMBL14884191

CC1(C)OB(c2ccc3c4cccnc4c4ccc5c6ccccc6ccc5c4c3n2)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.36
▸ LMNA P02545 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ PMP22 Q01453 2/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CCR1 P32246 3/20 0.33
▸ CCR8 P51685 3/20 0.33
▸ CCR5 P51681 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ LPL P06858 1/20 0.33
▸ LIPG Q9Y5X9 1/20 0.33
▸ HPRT1 P00492 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ GMNN O75496 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32

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
SCHEMBL14884179 0.89 ALDH1A1 (0.34) LMNACCR1CCR8CCR5L3MBTL1
SCHEMBL14884171 0.87 ALDH1A1 (0.36) CYP3A4LMNAMAPTPMP22CCR1
SCHEMBL14884177 0.86 L3MBTL1 (0.33) LMNACCR1CCR8CCR5L3MBTL1
SCHEMBL14884190 0.85 CCR1 (0.41) CYP3A4LMNAMAPTPMP22CCR1
SCHEMBL22963565 0.85 HPRT1 (0.41) CYP3A4LMNAMAPTPMP22APEX1
SCHEMBL31577401 0.85 HPRT1 (0.41) CYP3A4LMNAMAPTPMP22APEX1
SCHEMBL14884174 0.84 ALDH1A1 (0.38) CYP3A4LMNAMAPTPMP22CCR1
SCHEMBL14884167 0.83 CCR1 (0.42) CYP3A4LMNAMAPTPMP22CCR1
SCHEMBL14884189 0.80 CCR1 (0.37) CYP3A4LMNAMAPTPMP22CCR1
SCHEMBL14884176 0.80 CCR1 (0.37) CYP3A4LMNAMAPTPMP22CCR1

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-9005777-B2 Heterocyclic compound, organic light-emitting diode including the heterocyclic compound, and flat display device including the organic light-emitting diode SAMSUNG DISPLAY CO., LTD. (KR) 2015-04-14 — — US disclosed
US-9005777-B2 Heterocyclic compound, organic light-emitting diode including the heterocyclic compound, and flat display device including the organic light-emitting diode SAMSUNG DISPLAY CO., LTD. (KR) 2015-04-14 — — US disclosed
US-20130099206-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE INCLUDING THE HETEROCYCLIC COMPOUND, AND FLAT DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DIODE SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-04-25 — — US disclosed
US-20130099206-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE INCLUDING THE HETEROCYCLIC COMPOUND, AND FLAT DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DIODE SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-04-25 — — 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-20130099206-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE INCLUDING THE HETEROCYCLIC COMPOUND, AND FLAT DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DIODE DRD1, HTR1D, DRD4 CYP3A4 32/4885LMNA 2628/4885MAPT 1433/4885

“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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