SCHEMBL25824810

SCHEMBL25824810

C=C/C=C\c1cccc(-c2cccc(-c3ccc(Cl)cc3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
CYP1A2 P05177 2/20 0.41
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
CNR1 P21554 3/20 0.36
HTR2C P28335 1/20 0.36
PTGS2 P35354 1/20 0.36
ALOX5 P09917 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
MEN1 O00255 1/20 0.34
ESR1 P03372 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2C9 P11712 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
RELA Q04206 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
SCHEMBL22781006 0.84 MAOB (0.44) HDAC2HDAC8PTGS2ALOX5TRIM24
SCHEMBL7208741 0.84 MAOB (0.44) HDAC2HDAC8PTGS2ALOX5TRIM24
SCHEMBL19452321 0.78 CYP1A2 (0.53) CYP1A2CYP2C9RELAMAOAMAOB
SCHEMBL27958955 0.78 CYP1A2 (0.53) CYP1A2CYP2C9RELAMAOAMAOB
SCHEMBL14309786 0.75 CYP1A2 (0.68) CYP1A2CNR1HTR2CALOX5TAAR1
SCHEMBL3956869 0.75 CYP1A2 (0.68) CYP1A2CNR1HTR2CALOX5TAAR1
SCHEMBL14302431 0.75 CYP1A2 (0.68) CYP1A2CNR1HTR2CALOX5TAAR1
SCHEMBL8681654 0.73 AHR (0.50) CYP1A2HDAC2HDAC8PTGS2ALOX5
SCHEMBL10574217 0.73 AHR (0.50) CYP1A2HDAC2HDAC8PTGS2ALOX5
SCHEMBL27698353 0.73 ENPP2 (0.49) ELANECYP1A2HDAC2HDAC8CNR1

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-20230227397-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-07-20 US disclosed
US-20230227397-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-07-20 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 (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-20230227397-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE LEF1, PIEZO1, ELAVL1 ELANE 193/4885CYP1A2 1415/4885HDAC2 1716/4885

“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.