SCHEMBL3073672

SCHEMBL3073672

C[C](C)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
TPMT P51580 1/20 0.50
CYP3A4 P08684 2/20 0.38
TP53 P04637 1/20 0.38
HCAR1 Q9BXC0 1/20 0.37
ALDH1A1 P00352 2/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GRN P28799 3/20 0.35
SORT1 Q99523 3/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL15516477 0.82 TAS1R3 (0.41) TSHRTPMTHCAR1
SCHEMBL15517409 0.82 GPR139 (0.36) TSHRTPMTHCAR1
SCHEMBL16957562 0.80 TPMT (0.70) TSHRTPMTTP53HCAR1ALDH1A1
SCHEMBL16959382 0.79 TPMT (0.55) TSHRTPMTCYP3A4TP53HCAR1
SCHEMBL16955544 0.78 MEN1 (0.33) TPMTCYP3A4ALDH1A1RAB9A
SCHEMBL16960774 0.78 ALDH1A1 (0.42) CYP3A4ALDH1A1RAB9A
SCHEMBL16958932 0.78 ACHE (0.36) TPMTRECQLGRNSORT1KDM4E
SCHEMBL16956831 0.78 GAA (0.37) TPMTALDH1A1RXRARXRBKDM4E
SCHEMBL16954308 0.78 GABRA1 (0.39) TPMTALDH1A1HSD17B10GABRA1RXRA
SCHEMBL16952186 0.78 PARP1 (0.50) TSHRTPMTCYP3A4HCAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
WO-2014019609-A1 METHODS OF PEST CONTROL IN SOYBEAN SYNGENTA PARTICIPATIONS AG (CH) 2014-02-06 WO disclosed
US-20100234220-A1 Oxooxetanes as Fungicidal Agents BAYER CROPSCIENCE AG (DE) 2010-09-16 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-20100234220-A1 Oxooxetanes as Fungicidal Agents CYP51A1, PNPO, AOX1 TSHR 3912/4885TPMT 333/4885CYP3A4 25/4885

“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.