SCHEMBL20096396

SCHEMBL20096396

CCC(CC)c1ccc(Cl)nc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
MAPT P10636 1/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
CYP2D6 P10635 4/20 0.38
CYP3A4 P08684 3/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL18431523 0.86 NR1I2 (0.41) DGAT1MAPTAKR1C3AKR1C2CYP2D6
SCHEMBL27023470 0.82 DGAT1 (0.40) DGAT1MAPTAKR1C3AKR1C2CYP2D6
SCHEMBL12891661 0.82 DGAT1 (0.40) DGAT1MAPTAKR1C3AKR1C2CYP2D6
SCHEMBL21618531 0.81 MAPT (0.39) DGAT1MAPTCYP2D6CYP3A4SLC6A2
SCHEMBL8924164 0.80 LMNA (0.45) DGAT1MAPTAKR1C3AKR1C2CYP2D6
SCHEMBL27301550 0.80 SLC6A4 (0.44) DGAT1MAPTAKR1C3AKR1C2CYP2D6
SCHEMBL22746830 0.80 CYP2D6 (0.40) DGAT1MAPTAKR1C3AKR1C2CYP2D6
SCHEMBL17574540 0.80 SLC6A4 (0.44) DGAT1MAPTAKR1C3AKR1C2CYP2D6
SCHEMBL18737505 0.78 NR1I2 (0.41) DGAT1MAPTCYP2D6CYP3A4SLC6A2
SCHEMBL9264510 0.78 TBXAS1 (0.41) AKR1C3AKR1C2ALDH1A1

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-10292394-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2019-05-21 US disclosed
US-20180110225-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-04-26 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 (2 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-20180110225-A1 HERBICIDAL COMPOUNDS DDT, HPD, DDC DGAT1 461/4885MAPT 3379/4885AKR1C3 995/4885
US-10292394-B2 Herbicidal compounds DDT, HPD, DDC DGAT1 461/4885MAPT 3379/4885AKR1C3 995/4885

“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.