SCHEMBL22891731

SCHEMBL22891731

c1ccc2c(c1)Sc1cc(Nc3ccc4ccccc4c3)ccc1C21c2ccccc2-c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
PDK2 Q15119 1/20 0.35
SYK P43405 1/20 0.34
MAPT P10636 5/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
MAPK1 P28482 2/20 0.33
JAK2 O60674 1/20 0.33
TNF P01375 1/20 0.33
NOD1 Q9Y239 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SIRT2 Q8IXJ6 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
SCHEMBL22589581 0.87 PDK2 (0.46) ALDH1A1CYP3A4HSD17B10HPGDCYP1A2
SCHEMBL18201529 0.84 ALDH1A1 (0.55) ALDH1A1CYP3A4HSD17B10HPGDCYP1A2
SCHEMBL22891733 0.84 PDK2 (0.40) ALDH1A1CYP3A4HSD17B10HPGDPDK2
SCHEMBL23637460 0.84 ALDH1A1 (0.40) ALDH1A1CYP3A4HSD17B10HPGDCYP1A2
SCHEMBL24723618 0.82 ALDH1A1 (0.38) ALDH1A1CYP3A4HSD17B10HPGDCYP1A2
SCHEMBL22891717 0.82 PDK2 (0.46) ALDH1A1CYP3A4HSD17B10HPGDCYP1A2
SCHEMBL24723585 0.82 PDK2 (0.39) ALDH1A1PDK2SYKMAPTSIRT2
SCHEMBL24723470 0.81 ALDH1A1 (0.36) ALDH1A1CYP3A4HSD17B10HPGDPDK2
SCHEMBL14520997 0.81 ALDH1A1 (0.55) ALDH1A1CYP3A4HSD17B10HPGDCYP1A2
SCHEMBL24723407 0.80 ALDH1A1 (0.36) ALDH1A1CYP3A4HSD17B10HPGDPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3764416-B1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO LTD (KR) 2022-01-26 EP disclosed
US-20210013420-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2021-01-14 US disclosed
EP-3764416-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF Duk San Neolux Co., Ltd. (KR) 2021-01-13 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-20210013420-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF PIEZO1, ORAI2, OR10J3 ALDH1A1 1135/4885CYP3A4 764/4885HSD17B10 2763/4885

“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.