SCHEMBL21692001

SCHEMBL21692001

Cc1cc(I)c(C(C)(C)C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CA2 P00918 2/20 0.37
POLB P06746 2/20 0.37
TYR P14679 2/20 0.37
ALOX15 P16050 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
ATP2A2 P16615 1/20 0.36
ATP2A3 Q93084 1/20 0.36
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 1/20 0.33

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
SCHEMBL21692000 0.87 CYP1A2 (0.37) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL18931663 0.82 CYP1A2 (0.37) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL21693316 0.79 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL3878757 0.77 CFTR (0.41)
SCHEMBL21941802 0.75 CYP2C9 (0.42) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL21500716 0.74 CYP2C9 (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL30708616 0.73 CYP3A4 (0.37) ALDH1A1CA2KDM4ETP53CYP3A4
SCHEMBL13584339 0.73 CYP3A4 (0.37) ALDH1A1CA2KDM4ETP53CYP3A4
SCHEMBL5051888 0.72 CYP2C9 (0.41) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL25893646 0.72 CYP1A2 (0.33) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2

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-11053228-B2 Condensed cyclic compound, composition including the condensed cyclic compound, and organic light-emitting device including the condensed cyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-07-06 US disclosed
US-20200031812-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND SAMSUNG SDI CO., LTD. (KR) 2020-01-30 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-11053228-B2 Condensed cyclic compound, composition including the condensed cyclic compound, and organic light-emitting device including the condensed cyclic compound CCNL2, ARL1, CRY1 CYP1A2 1250/4885CYP2C9 2285/4885CYP2C19 2231/4885
US-20200031812-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND CCNL2, ARL1, CRY1 CYP1A2 1250/4885CYP2C9 2285/4885CYP2C19 2231/4885

“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.