SCHEMBL19994182

SCHEMBL19994182

C/C(=C\c1ccccc1)CC=C(Cl)Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
AKR1C3 P42330 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
KDM1A O60341 2/20 0.41
RECQL P46063 1/20 0.41
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
FBP1 P09467 2/20 0.39
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL627745 0.76 TSHR (0.45) TSHRALDH1A1AKR1C3SMN1; SMN2USP2
SCHEMBL27573652 0.76 TSHR (0.55) TSHRALDH1A1AKR1C3SMN1; SMN2USP2
SCHEMBL5655358 0.75 ALDH1A1 (0.48) TSHRALDH1A1AKR1C3SMN1; SMN2USP2
SCHEMBL5655352 0.75 ALDH1A1 (0.48) TSHRALDH1A1AKR1C3SMN1; SMN2USP2
SCHEMBL11747945 0.73 RECQL (0.53) TSHRALDH1A1AKR1C3SMN1; SMN2RECQL
SCHEMBL11747951 0.73 RECQL (0.53) TSHRALDH1A1AKR1C3SMN1; SMN2RECQL
SCHEMBL295401 0.73 TSHR (0.50) TSHRALDH1A1AKR1C3SMN1; SMN2USP2
SCHEMBL5027068 0.73 TSHR (0.50) TSHRALDH1A1AKR1C3SMN1; SMN2USP2
SCHEMBL295402 0.73 TSHR (0.50) TSHRALDH1A1AKR1C3SMN1; SMN2USP2
SCHEMBL598599 0.73 TSHR (0.50) TSHRALDH1A1AKR1C3SMN1; SMN2USP2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200187500-A1 PYRIDINE COMPOUNDS BASF SE (DE) 2020-06-18 US disclosed
EP-3606914-A1 PYRIDINE COMPOUNDS BASF SE (DE) 2020-02-12 EP disclosed
WO-2018184882-A1 PYRIDINE COMPOUNDS BASF SE (DE) 2018-10-11 WO disclosed
WO-2018054711-A1 PYRIDINE COMPOUNDS FOR CONTROLLING PHYTOPATHOGENIC HARMFUL FUNGI BASF SE (DE) 2018-03-29 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-20200187500-A1 PYRIDINE COMPOUNDS NQO1, NDUFS5, NDUFS4 TSHR 4390/4885ALDH1A1 140/4885AKR1C3 472/4885

“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.