SCHEMBL432529

SCHEMBL432529

CC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(O)=C(c3c(C)cc(C)cc3C)C(=O)[C@H]12

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL432532 1.00 ALDH1A1 (0.33) ALDH1A1GAANPSR1TSHRMEN1
SCHEMBL432695 0.80 LMNA (0.34) ALDH1A1NPSR1
SCHEMBL471009 0.80 LMNA (0.34) ALDH1A1NPSR1
SCHEMBL432762 0.78 L3MBTL1 (0.34) ALDH1A1GAAKMT2AMAPT
SCHEMBL10257453 0.75 ALDH1A1 (0.30) ALDH1A1GAAMAPT
SCHEMBL431100 0.74 MEN1 (0.36) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL15800102 0.73 KDM4E (0.31) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL10257409 0.73 KDM4E (0.31) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL431349 0.72 HTR2A (0.32) ALDH1A1GAAMAPT
SCHEMBL432186 0.72 SMN1; SMN2 (0.43) ALDH1A1GAAMEN1KMT2AMAPT

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-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 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-20120065066-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 ALDH1A1 14/4885GAA 478/4885NPSR1 1600/4885

“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.