SCHEMBL18025876

SCHEMBL18025876

Cc1ccc(N2C=CC(C)(C)C=C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
ELANE P08246 2/20 0.38
F2 P00734 1/20 0.38
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
CTRC Q99895 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
ACHE P22303 1/20 0.36
MGLL Q99685 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADRB1 P08588 1/20 0.33
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NOTUM Q6P988 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL12230241 0.80 ACHE (0.50) ELANEF2CTSGCMA1CTRC
SCHEMBL18011957 0.79 CACNA1B (0.37) CACNA1BAPBA1ELANEMAPK1POLB
SCHEMBL18025865 0.76 AR (0.43) TDP1MAPTL3MBTL1TSHRLMNA
SCHEMBL22430825 0.73 ELANE (0.42) ELANEF2CTSGCMA1CTRC
SCHEMBL28357023 0.70 F2 (0.39) ELANEF2CTSGCMA1CTRC
SCHEMBL1105689 0.70 F2 (0.39) ELANEF2CTSGCMA1CTRC
SCHEMBL9668319 0.62 MAPT (0.55) ELANEF2CTSGCMA1CTRC
P-Xylene SCHEMBL6903773 0.61 ACHE (0.80) TDP1ACHETSHRLMNA
P-Xylene SCHEMBL7628214 0.61 ACHE (0.80) TDP1ACHETSHRLMNA
SCHEMBL22703464 0.60 MAPK1 (0.40) CACNA1BAPBA1ELANEF2CTSG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022180-B1 UV ABSORBING COMPOUNDS, COMPOSITIONS COMPRISING SAME AND USES THEREOF CORAL SUNSCREEN PTY LTD (AU) 2022-02-23 EP disclosed
US-20180155288-A1 UV Absorbing Compounds, Compositions Comprising Same and Uses Thereof CORAL SUNSCREEN PTY LTD (AU) 2018-06-07 US disclosed
US-20180155288-A1 UV Absorbing Compounds, Compositions Comprising Same and Uses Thereof CORAL SUNSCREEN PTY LTD (AU) 2018-06-07 US disclosed
US-9920009-B2 UV absorbing compounds, compositions comprising same and uses thereof CORAL SUNSCREEN PTY LTD (AU) 2018-03-20 US disclosed
US-9920009-B2 UV absorbing compounds, compositions comprising same and uses thereof CORAL SUNSCREEN PTY LTD (AU) 2018-03-20 US disclosed
US-20160244409-A1 UV Absorbing Compounds, Compositions Comprising Same and Uses Thereof CORAL SUNSCREEN PTY LTD (AU) 2016-08-25 US disclosed
US-20160244409-A1 UV Absorbing Compounds, Compositions Comprising Same and Uses Thereof CORAL SUNSCREEN PTY LTD (AU) 2016-08-25 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-20180155288-A1 UV Absorbing Compounds, Compositions Comprising Same and Uses Thereof ERCC1, ERCC4, ERCC5 CACNA1B 2294/4885APBA1 973/4885ELANE 1394/4885
US-20160244409-A1 UV Absorbing Compounds, Compositions Comprising Same and Uses Thereof ERCC4, ERCC1, ERCC5 CACNA1B 3226/4885APBA1 1459/4885ELANE 2392/4885

“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.