SCHEMBL19981099

SCHEMBL19981099

CC1c2cc(C(C)(C)C)c(C(C)(C)C)cc2-c2cc(C(C)(C)C)c(C(C)(C)C)cc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
ATP2A2 P16615 1/20 0.35
ATP2A3 Q93084 1/20 0.35
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32
POLB P06746 1/20 0.31
TYR P14679 1/20 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
SCHEMBL18261198 0.84 CYP1A2 (0.33) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL7132801 0.67 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL16411257 0.65 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL18261188 0.65 PGR (0.31)
SCHEMBL31437683 0.62 EEF2K (0.42) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL19049547 0.61
SCHEMBL19675543 0.60 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL13903365 0.60 ALOX15 (0.42) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL19675726 0.59 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL24910469 0.58 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180079841-A1 METALLOCENE SUPPORTED CATALYST AND METHOD FOR PREPARING POLYOLEFIN USING THE SAME LG CHEM, LTD. (KR) 2018-03-22 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-20180079841-A1 METALLOCENE SUPPORTED CATALYST AND METHOD FOR PREPARING POLYOLEFIN USING THE SAME PCBP1, SOD1, PCLAF ALDH1A1 2034/4885SMN1; SMN2 1179/4885KDM4E 2644/4885

“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.