SCHEMBL22225595

SCHEMBL22225595

Clc1ccc2c(ccc3ccccc32)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.53
▸ HPRT1 P00492 3/20 0.52
▸ CYP2A6 P11509 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ MAPT P10636 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ PMP22 Q01453 1/20 0.48
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAOA P21397 2/20 0.45
▸ MAOB P27338 1/20 0.45
▸ PAX8 Q06710 1/20 0.43
▸ HIF1A Q16665 1/20 0.43

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
SCHEMBL22970631 0.82 BACE1 (0.47) CYP3A4HPRT1CYP2A6ALDH1A1HSD17B10
Benzene SCHEMBL28021581 0.78 NCF1 (0.56) CYP3A4ALDH1A1TDP1MAPTLMNA
SCHEMBL1294228 0.76 TDP1 (0.45) CYP3A4ALDH1A1HSD17B10TDP1TSHR
SCHEMBL31621734 0.75 CYP3A4 (0.53) CYP3A4HPRT1CYP2A6ALDH1A1HSD17B10
SCHEMBL7058875 0.75 CYP1A2 (0.59) CYP3A4HPRT1CYP2A6ALDH1A1HSD17B10
SCHEMBL30168988 0.75 NCF1 (0.58) CYP3A4ALDH1A1TDP1MAPTLMNA
SCHEMBL7252 0.75 NCF1 (0.58) CYP3A4ALDH1A1TDP1MAPTLMNA
SCHEMBL14127304 0.75 NCF1 (0.58) CYP3A4ALDH1A1TDP1MAPTLMNA
SCHEMBL3336887 0.74 NPC1 (0.50) CYP3A4HPRT1CYP2A6ALDH1A1HSD17B10
Phenanthrene SCHEMBL201780 0.74 ALDH1A1 (0.92) CYP3A4HPRT1CYP2A6ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200223835-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2020-07-16 — — 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 (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-20200223835-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF PIEZO1, OCIAD1, EML4 CYP3A4 464/4885HPRT1 1343/4885CYP2A6 1430/4885

“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.

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