SCHEMBL22360497

SCHEMBL22360497

C=Cc1c(C=C)n(C(C)C)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ POLB P06746 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ CYP2C9 P11712 4/20 0.36
▸ SIRT6 Q8N6T7 2/20 0.36
▸ HMGCR P04035 2/20 0.36
▸ ABCC3 O15438 1/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL23768636 0.89 BCHE (0.39) BCHEACHEMAPTTSHRMAPK1
SCHEMBL24322315 0.82 TSHR (0.39) BCHEACHEMAPTTSHRMAPK1
SCHEMBL19365233 0.77 GPR3 (0.50) MAPTTSHRATMTDP1POLB
SCHEMBL25966257 0.76 SLC5A2 (0.31) —
SCHEMBL19636107 0.76 BCHE (0.42) BCHEACHEMAPTTSHRMAPK1
SCHEMBL25699621 0.74 ALDH1A1 (0.39) BCHEACHEMAPTTSHRMAPK1
SCHEMBL13208119 0.74 HMGCR (0.58) CYP2C9SIRT6HMGCRABCC3ABCB11
SCHEMBL22368026 0.74 ALDH1A1 (0.50) MAPTTSHRMAPK1CASP1CASP7
SCHEMBL23595205 0.73 LMNA (0.32) TSHRPOLBCYP2C9LMNAALDH1A1
SCHEMBL23280213 0.73 LMNA (0.32) TSHRPOLBCYP2C9LMNAALDH1A1

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-11542258-B2 Heterocyclic compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2023-01-03 — — US disclosed
US-20200262825-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2020-08-20 — — 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-20200262825-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CYP1A1, CYP1B1 BCHE 2888/4885ACHE 722/4885MAPT 1832/4885
US-11542258-B2 Heterocyclic compound and organic light emitting device comprising the same CYP1A1, CRY1, CYP1B1 BCHE 2755/4885ACHE 598/4885MAPT 1717/4885

“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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