SCHEMBL23230657

SCHEMBL23230657

Clc1ccc2oc3c(-c4ccccc4)cc(-c4ccccc4)cc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 7/20 0.50
▸ ADORA3 P0DMS8 2/20 0.49
▸ TNKS O95271 1/20 0.49
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ GABRA1 P14867 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
SCHEMBL23098285 0.88 AHR (0.51) AHRADORA3TNKSCA1CA2
SCHEMBL1636724 0.84 AKR1B1 (0.39) KMT2AKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL24969280 0.83 AHR (0.51) AHRADORA3TNKSCA1CA2
SCHEMBL21811018 0.83 AHR (0.51) AHRADORA3TNKSCA1CA2
SCHEMBL1635618 0.82 AKR1B1 (0.38) KMT2AKDM4ELMNAALDH1A1POLB
SCHEMBL21412957 0.82 ALOX5 (0.46) AHRADORA3TNKSCA1CA2
SCHEMBL29828999 0.82 ALOX5 (0.46) AHRADORA3TNKSCA1CA2
SCHEMBL20109992 0.81 PLA2G2A (0.40) AHRADORA3TNKSCA1CA2
SCHEMBL12969181 0.81 HPRT1 (0.46) TNKSKDM4EALDH1A1POLBCYP1A2
SCHEMBL9889836 0.80 CYP1A1 (0.38) AHRKMT2AKDM4EALDH1A1CYP1A2

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
US-11795161-B2 Compound and organic light emitting device comprising same LG CHEM, LTD. (KR) 2023-10-24 — — US disclosed
US-11795161-B2 Compound and organic light emitting device comprising same LG CHEM, LTD. (KR) 2023-10-24 — — US disclosed
US-20210107898-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2021-04-15 — — 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-11795161-B2 Compound and organic light emitting device comprising same CRY1, CRY2, CYP1A1 AHR 128/4885ADORA3 3649/4885TNKS 2972/4885
US-20210107898-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CRY2, CYP1A1 AHR 128/4885ADORA3 3649/4885TNKS 2972/4885

“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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