SCHEMBL431100

SCHEMBL431100

Cc1cc(C)c(C2=C(O)[C@H]3[C@H]4CC[C@H](CC4)[C@H]3C2=O)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
UGT2B17 O75795 2/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
EBP Q15125 1/20 0.31
DHCR7 Q9UBM7 1/20 0.31
TAS1R3 Q7RTX0 2/20 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
SCHEMBL432186 0.94 SMN1; SMN2 (0.43) MEN1KMT2ASMN1; SMN2MCOLN3KCNQ3
SCHEMBL10187580 0.90 ELAVL1 (0.36) MEN1KMT2AHTR2BKDM4EMAPT
SCHEMBL432771 0.84 MEN1 (0.32) MEN1KMT2ASMN1; SMN2MCOLN3
SCHEMBL10187562 0.84 MEN1 (0.35) MEN1KMT2ASMN1; SMN2MCOLN3ALDH1A1
SCHEMBL431050 0.83 ALDH1A1 (0.31) ALDH1A1GAA
SCHEMBL15800430 0.82 ALDH1A1 (0.32) ALDH1A1LMNA
SCHEMBL431349 0.81 HTR2A (0.32) HTR2AHTR2CHTR2BKDM4EMAPT
SCHEMBL430158 0.81 HTR2A (0.32) HTR2AHTR2CHTR2BKDM4EMAPT
SCHEMBL432762 0.81 L3MBTL1 (0.34) KMT2AKDM4EMAPTALDH1A1LMNA
SCHEMBL10257452 0.80 L3MBTL1 (0.35) MEN1KMT2ASMN1; SMN2MCOLN3KDM4E

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-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 US disclosed
WO-2010133232-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 WO 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 MEN1 4280/4885KMT2A 674/4885SMN1; SMN2 2952/4885

“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.