SCHEMBL30185232

SCHEMBL30185232

COC(=O)c1nc(-c2ccc(F)c3c2OC(F)(F)O3)c(F)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
P2RX7 Q99572 1/20 0.35
S1PR4 O95977 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
RRM1 P23921 1/20 0.35
RRM2B Q7LG56 1/20 0.35
STIM1 Q13586 1/20 0.34
ORAI1 Q96D31 1/20 0.34
ORAI2 Q96SN7 1/20 0.34
KDM4E B2RXH2 4/20 0.34
PKM P14618 2/20 0.34
RCE1 Q9Y256 1/20 0.34
CNR1 P21554 1/20 0.34
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
CASP3 P42574 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL24984449 1.00 ALDH1A1 (0.37) ALDH1A1P2RX7S1PR4CHRM2CHRM1
SCHEMBL30185085 0.86 P2RX7 (0.35) ALDH1A1P2RX7S1PR4CHRM2CHRM1
SCHEMBL30185254 0.86 ADORA2A (0.39) ALDH1A1P2RX7STIM1ORAI1ORAI2
SCHEMBL24985172 0.86 ADORA2A (0.39) ALDH1A1P2RX7STIM1ORAI1ORAI2
SCHEMBL24984538 0.86 STIM1 (0.35) ALDH1A1P2RX7S1PR4STIM1ORAI1
SCHEMBL30185184 0.86 STIM1 (0.35) ALDH1A1P2RX7S1PR4STIM1ORAI1
SCHEMBL24984542 0.86 P2RX7 (0.35) ALDH1A1P2RX7S1PR4CHRM2CHRM1
SCHEMBL30185118 0.85 P2RX7 (0.35) ALDH1A1P2RX7S1PR4STIM1ORAI1
SCHEMBL24984539 0.85 P2RX7 (0.35) ALDH1A1P2RX7S1PR4STIM1ORAI1
SCHEMBL24984408 0.82 STIM1 (0.39) ALDH1A1P2RX7S1PR4STIM1ORAI1

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-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 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-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT ALDH1A1 123/4885P2RX7 25/4885S1PR4 2227/4885

“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.