SCHEMBL20043142

SCHEMBL20043142

CC1=CC(C(=O)O)=C(C)C1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PKM P14618 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
SCHEMBL18725020 0.79 ALDH1A1 (0.35) TPMTALDH1A1SMN1; SMN2
SCHEMBL14283171 0.67 MAOA (0.33) TPMTALDH1A1SMN1; SMN2
SCHEMBL4652308 0.62
SCHEMBL30770833 0.62
SCHEMBL232172 0.60 TPMT (0.32) TPMTALDH1A1SMN1; SMN2
SCHEMBL7626522 0.59 MAPT (0.32)
SCHEMBL12446316 0.59
SCHEMBL19397263 0.56
SCHEMBL31518852 0.56 PYGM (0.32) TPMTALDH1A1SMN1; SMN2
Carbamic Acid SCHEMBL15321134 0.55

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-20180099970-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-12 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-20180099970-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES DDT, NIT2, SQOR TPMT 498/4885ALDH1A1 1590/4885SMN1; SMN2 996/4885

“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.