SCHEMBL21115362

SCHEMBL21115362

CC(C)(C)C1c2cn(-c3ccccc3)cc2C1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
COMT P21964 1/20 0.33
CYP3A4 P08684 1/20 0.33
BPTF Q12830 1/20 0.31
TUBB4A P04350 3/20 0.31
TUBB P07437 3/20 0.31
TUBA3C P0DPH7 3/20 0.31
TUBA1B P68363 3/20 0.31
TUBA4A P68366 3/20 0.31
TUBB4B P68371 3/20 0.31
TUBB3 Q13509 3/20 0.31
TUBB2A Q13885 3/20 0.31
TUBB8 Q3ZCM7 3/20 0.31
TUBA3E Q6PEY2 3/20 0.31
TUBA1A Q71U36 3/20 0.31
TUBA1C Q9BQE3 3/20 0.31
TUBB6 Q9BUF5 3/20 0.31

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
SCHEMBL17916171 0.73 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19COMT
SCHEMBL720718 0.69 NPC1 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19COMT
SCHEMBL722887 0.68 CA12 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18534249 0.68 MEN1 (0.50) ALDH1A1ATMPOLBLMNAMAPT
SCHEMBL455368 0.66 CYP3A4 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19COMT
SCHEMBL23334382 0.64 CACNA1B (0.46) ALDH1A1ATMPOLBMAPTMEN1
SCHEMBL8931344 0.64 TUBB4A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14603457 0.64 CYP3A4 (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19COMT
SCHEMBL11143098 0.64 COMT (0.59) ALDH1A1CYP1A2CYP2C9CYP2C19COMT
SCHEMBL17916174 0.64 CYP3A4 (0.40) ALDH1A1CYP1A2CYP2C9CYP2C19COMT

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-20190326517-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2019-10-24 US disclosed
US-20190198769-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-06-27 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-20190326517-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CRY1, CYP1B1 ALDH1A1 38/4885CYP1A2 7/4885CYP2C9 11/4885
US-20190198769-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ODC1, ETV6 ALDH1A1 228/4885CYP1A2 67/4885CYP2C9 18/4885

“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.