SCHEMBL4545235

SCHEMBL4545235

c1ccc(N(c2ccc3ccccc3c2)c2cc3c4ccccc4ccc3c3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 5/20 0.44
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP2A6 P11509 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1B1 Q16678 2/20 0.37
HIF1A Q16665 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PAX8 Q06710 1/20 0.34
KDM4E B2RXH2 1/20 0.33
SOS1 Q07889 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
APEX1 P27695 1/20 0.33
MAPK1 P28482 1/20 0.33
PMP22 Q01453 1/20 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
SCHEMBL2544706 0.95 KDM4E (0.35) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL26851589 0.94 HPRT1 (0.37) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL26053253 0.93 HPRT1 (0.40) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL26851755 0.93 HPRT1 (0.40) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL17933062 0.92 HPRT1 (0.38) HPRT1ALDH1A1HSD17B10TDP1CYP1A2
SCHEMBL12175919 0.92 HPRT1 (0.45) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL9888987 0.92 HPRT1 (0.52) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL24066546 0.91 HPRT1 (0.37) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL26054873 0.90 HPRT1 (0.47) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL9889005 0.90 ALDH1A1 (0.39) HPRT1ALDH1A1HSD17B10CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025840-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2024-01-25 US disclosed
US-20240025840-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2024-01-25 US disclosed
EP-4235829-A1 ORGANIC LIGHT-EMITTING DEVICE Lg Chem, Ltd. (KR) 2023-08-30 EP disclosed
US-8178218-B2 Material for organic electroluminescent device and organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2012-05-15 US disclosed
US-8178218-B2 Material for organic electroluminescent device and organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2012-05-15 US disclosed
US-20090195149-A1 Material for organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2009-08-06 US disclosed
US-20090195149-A1 Material for organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2009-08-06 US disclosed
US-20070155991-A1 Material for organic electroluminescent device and organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2007-07-05 US disclosed
US-20070155991-A1 Material for organic electroluminescent device and organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2007-07-05 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 (3 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-20090195149-A1 Material for organic electroluminescent device using same EML4, INCENP, EZH2 HPRT1 1090/4885ALDH1A1 1147/4885HSD17B10 4130/4885
US-20070155991-A1 Material for organic electroluminescent device and organic electroluminescent device using same CD99, EML4, L1CAM HPRT1 1128/4885ALDH1A1 1095/4885HSD17B10 3996/4885
US-20240025840-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CYP1A1, TMEM109 HPRT1 251/4885ALDH1A1 28/4885HSD17B10 1208/4885

“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.