SCHEMBL22014714

SCHEMBL22014714

Nc1ccccc1-c1cccc2c1Oc1ccccc1C21c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
OPRK1 P41145 1/20 0.39
KMT2A Q03164 1/20 0.39
AHR P35869 2/20 0.34
PDK2 Q15119 1/20 0.33
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL19298541 0.78 TRPA1 (0.40) AHRPDK2
SCHEMBL20823404 0.78 PDK2 (0.47) ALDH1A1L3MBTL1KDM4ESMN1; SMN2MEN1
SCHEMBL15713480 0.78 AHR (0.34) ALDH1A1KDM4ESMN1; SMN2MEN1LMNA
SCHEMBL21309293 0.78 ESR1 (0.38) L3MBTL1KDM4ESMN1; SMN2MEN1LMNA
SCHEMBL19298387 0.78 AHR (0.34) KDM4ESMN1; SMN2MEN1LMNAMAPT
SCHEMBL23008508 0.78 AHR (0.55) KDM4ESMN1; SMN2MEN1LMNAMAPT
SCHEMBL5998195 0.77 KDM4E (0.43) KDM4ESMN1; SMN2MEN1LMNAMAPT
SCHEMBL29403370 0.77 KDM4E (0.43) KDM4ESMN1; SMN2MEN1LMNAMAPT
SCHEMBL29367681 0.77 KDM4E (0.43) KDM4ESMN1; SMN2MEN1LMNAMAPT
SCHEMBL17482453 0.77 AHR (0.36) ALDH1A1KDM4EAHRHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220013729-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2022-01-13 US disclosed
WO-2020101314-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 엘티소재주식회사 2020-05-22 WO 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-20220013729-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, CYP1B1, CYP1A1 ALDH1A1 6/4885L3MBTL1 1114/4885KDM4E 2302/4885

“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.