SCHEMBL17414872

SCHEMBL17414872

Clc1cccc(-n2c3ccccc3c3ccccc32)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.43
HTR3B O95264 3/20 0.43
HTR3A P46098 3/20 0.43
HTR3D Q70Z44 3/20 0.43
HTR3C Q8WXA8 3/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
CYP1A2 P05177 3/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGER4 P35408 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ALOX5 P09917 2/20 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
SCHEMBL185666 0.86 KDM4E (0.50) ALDH1A1L3MBTL1KDM4EATMCYP1A2
SCHEMBL29811272 0.86 KDM4E (0.50) ALDH1A1L3MBTL1KDM4EATMCYP1A2
SCHEMBL29457641 0.86 KDM4E (0.50) ALDH1A1L3MBTL1KDM4EATMCYP1A2
SCHEMBL12447678 0.84 HTR3E (0.36) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16674302 0.80 KDM4E (0.45) ALDH1A1L3MBTL1KDM4EATMCYP1A2
SCHEMBL23196697 0.78 KDM4E (0.43) ALDH1A1L3MBTL1KDM4EATMCYP1A2
SCHEMBL16674263 0.78 KDM4E (0.43) ALDH1A1L3MBTL1KDM4EATMCYP1A2
SCHEMBL10027571 0.78 KDM4E (0.43) ALDH1A1L3MBTL1KDM4EATMCYP1A2
SCHEMBL16674350 0.78 KDM4E (0.43) ALDH1A1L3MBTL1KDM4EATMCYP1A2
SCHEMBL16674217 0.78 KDM4E (0.43) ALDH1A1L3MBTL1KDM4EATMCYP1A2

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
CN-105254555-B Condensed ring compound and organic light emitting device including the same 三星电子株式会社 2020-12-29 CN disclosed
EP-2966146-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2019-09-11 EP disclosed
US-20160013423-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-01-14 US disclosed
EP-2966146-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd (KR) 2016-01-13 EP 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-20160013423-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNT1, CCNA1 HTR3E 2513/4885HTR3B 2399/4885HTR3A 2288/4885

“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.