SCHEMBL17879153

SCHEMBL17879153

O=C(c1ccccc1)c1ccc(N2c3ccccc3Oc3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 8/20 0.56
ALDH1A1 P00352 4/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
STAT1 P42224 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SRD5A2 P31213 1/20 0.46
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 2/20 0.42
ATM Q13315 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL17851140 0.97 P2RX4 (0.50) P2RX4ALDH1A1TSHRHSD17B10NPC1
SCHEMBL17850889 0.97 P2RX4 (0.50) P2RX4ALDH1A1TSHRHSD17B10NPC1
SCHEMBL30874549 0.97 P2RX4 (0.50) P2RX4ALDH1A1TSHRHSD17B10NPC1
SCHEMBL31059185 0.92 L3MBTL1 (0.50) P2RX4ALDH1A1TSHRHSD17B10NPC1
SCHEMBL17851088 0.92 L3MBTL1 (0.50) P2RX4ALDH1A1TSHRHSD17B10NPC1
SCHEMBL17851082 0.92 P2RX4 (0.46) P2RX4ALDH1A1TSHRHSD17B10NPC1
SCHEMBL21843450 0.89 ALDH1A1 (0.48) P2RX4ALDH1A1LMNASRD5A2
SCHEMBL21843452 0.89 NPC1 (0.46) P2RX4ALDH1A1TSHRNPC1RAB9A
SCHEMBL17851130 0.89 P2RX4 (0.46) P2RX4ALDH1A1HSD17B10NPSR1ATM
SCHEMBL30610354 0.88 P2RX4 (0.53) P2RX4TSHRL3MBTL1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210074927-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYULUX, INC. (JP) 2021-03-11 US disclosed
US-10862047-B2 Organic electroluminescent device KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2020-12-08 US disclosed
US-10658596-B2 2020-05-19 US disclosed
US-10593888-B2 Polycyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-03-17 US disclosed
US-20170213974-A1 ORGANIC LIGHT-EMITTING DEVICE, HOST MATERIAL, LIGHT-EMITTING MATERIAL, AND COMPOUND KYULUX, INC. (JP) 2017-07-27 US disclosed
US-20170213974-A1 ORGANIC LIGHT-EMITTING DEVICE, HOST MATERIAL, LIGHT-EMITTING MATERIAL, AND COMPOUND KYULUX, INC. (JP) 2017-07-27 US disclosed
US-20170163010-A1 ORGANIC LIGHT-EMITTING ELEMENT KYUSHU UNIVERSITY NATIONAL UNIVERSITY CORPORATION (JP) 2017-06-08 US disclosed
US-20170163010-A1 ORGANIC LIGHT-EMITTING ELEMENT KYUSHU UNIVERSITY NATIONAL UNIVERSITY CORPORATION (JP) 2017-06-08 US disclosed
US-20170018600-A1 ORGANIC LIGHT-EMITTING DISPLAY DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-01-19 US disclosed
US-20170018600-A1 ORGANIC LIGHT-EMITTING DISPLAY DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-01-19 US disclosed
US-20160190478-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-06-30 US disclosed
US-20160190478-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-06-30 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-10593888-B2 Polycyclic compound and organic light-emitting device including the same CRY1, PPOX, CRY2 P2RX4 1781/4885ALDH1A1 59/4885TSHR 4409/4885
US-20170213974-A1 ORGANIC LIGHT-EMITTING DEVICE, HOST MATERIAL, LIGHT-EMITTING MATERIAL, AND COMPOUND CRY1, CRY2, CYBA P2RX4 2187/4885ALDH1A1 269/4885TSHR 4724/4885

“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.