SCHEMBL25756400

SCHEMBL25756400

Cc1cc(-c2c(C)cccc2C)c(C)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 1/20 0.44
▸ UHRF1 Q96T88 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MYC P01106 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ NOS3 P29474 2/20 0.35
▸ NOS1 P29475 2/20 0.35
▸ NOS2 P35228 2/20 0.35
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.34

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
SCHEMBL4672340 0.83 UHRF1 (0.48) FGFR1UHRF1CYP1A2CYP2A6KDM4E
SCHEMBL11178308 0.76 MAP4K4 (0.54) UHRF1MAP4K4
SCHEMBL12305117 0.75 CYP2A6 (0.47) UHRF1CYP1A2CYP2A6KDM4EMAPT
SCHEMBL11376044 0.73 MAPT (0.43) UHRF1CYP1A2CYP2A6KDM4EMAPT
SCHEMBL25983185 0.72 DHFR (0.39) FGFR1CYP1A2MAPTMYC
SCHEMBL30522572 0.72 UHRF1 (0.45) UHRF1CYP1A2CYP2A6KDM4EMAPT
SCHEMBL11254473 0.72 UHRF1 (0.45) UHRF1CYP1A2CYP2A6KDM4EMAPT
SCHEMBL11375205 0.72 HSD17B1 (0.50) ADORA1ABL1
SCHEMBL25983116 0.71 ALOX5AP (0.49) CYP1A2CA1CA2CA9GRIA1
SCHEMBL16455768 0.71 CYP1A2 (0.47) UHRF1CYP1A2CYP2A6MAPT

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-20230203075-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-06-29 — — 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-20230203075-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME DDT, L3MBTL1, LAGE3 FGFR1 3132/4885UHRF1 2489/4885CYP1A2 3574/4885

“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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