SCHEMBL682834

SCHEMBL682834

CCOc1ccc(C(c2ccccc2)C(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.60
NQO1 P15559 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RELA Q04206 1/20 0.50
CNR2 P34972 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
FFAR1 O14842 1/20 0.44
LMNA P02545 2/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL686456 0.85 LTA4H (0.59) LTA4HNQO1MEN1KMT2AL3MBTL1
SCHEMBL7369820 0.82 LTA4H (0.61) LTA4HNQO1MEN1KMT2AL3MBTL1
SCHEMBL7941706 0.82 LTA4H (0.45) LTA4HNQO1MEN1KMT2AL3MBTL1
SCHEMBL824979 0.82 NQO1 (0.70) LTA4HNQO1MEN1KMT2AL3MBTL1
SCHEMBL11847522 0.81 EPHX2 (0.47) LTA4HNQO1MEN1KMT2ALMNA
Benzene SCHEMBL28529548 0.80 NQO1 (0.61) LTA4HNQO1MEN1KMT2AL3MBTL1
Phenetole SCHEMBL499918 0.79 LTA4H (0.81) LTA4HNQO1L3MBTL1RELATAAR1
Phenetole SCHEMBL18492 0.79
Phenetole SCHEMBL10779391 0.79 LTA4H (0.81) LTA4HNQO1L3MBTL1RELATAAR1
SCHEMBL11420513 0.79 LTA4H (0.57) LTA4HNQO1MEN1KMT2AL3MBTL1

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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF LTA4H 688/4885NQO1 1563/4885MEN1 1910/4885

“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.