SCHEMBL18931663

SCHEMBL18931663

Cc1cc(C(C)(C)C)c(C)cc1I

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CA2 P00918 2/20 0.36
POLB P06746 2/20 0.36
TYR P14679 1/20 0.36
ALOX15 P16050 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ATP2A2 P16615 1/20 0.35
ATP2A3 Q93084 1/20 0.35
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GABRA1 P14867 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
SCHEMBL21693316 0.87 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL21692000 0.85 CYP1A2 (0.37) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL21500716 0.84 CYP2C9 (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL21692001 0.82 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
Water SCHEMBL28480832 0.81 CYP2C9 (0.44) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL25893646 0.79 CYP1A2 (0.33) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL21941802 0.78 CYP2C9 (0.42) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL1685558 0.78 TTR (0.37) ALDH1A1CA2TP53CYP3A4TSHR
SCHEMBL27489165 0.75 CYP2C9 (0.44) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL29324542 0.75 ALOX15 (0.47) 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-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 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-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS CYP1A2 2958/4885CYP2C9 3780/4885CYP2C19 4120/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CYP1A2 2958/4885CYP2C9 3780/4885CYP2C19 4120/4885

“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.