SCHEMBL19984866

SCHEMBL19984866

CCOC(=O)CC1Cc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.44
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
IDO1 P14902 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
ATM Q13315 1/20 0.42
GAA P10253 1/20 0.41
NOTUM Q6P988 1/20 0.41
KCNH2 Q12809 1/20 0.41
GRIN2B Q13224 1/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL13116633 0.87 CYP1A2 (0.44) CYP1A2POLBMTNR1AMTNR1BIDO1
SCHEMBL5659040 0.86 CYP1A2 (0.43) CYP1A2POLBIDO1SIGMAR1ATM
SCHEMBL30618514 0.85 CYP1A2 (0.47) CYP1A2MTNR1AMTNR1BIDO1NOTUM
SCHEMBL3348647 0.85 CYP1A2 (0.47) CYP1A2MTNR1AMTNR1BIDO1NOTUM
SCHEMBL7741108 0.84 MTNR1A (0.57) CYP1A2MTNR1AMTNR1B
SCHEMBL15715850 0.84 MTNR1A (0.49) MTNR1AMTNR1B
SCHEMBL7516493 0.84 MTNR1A (0.45) CYP1A2MTNR1AMTNR1B
SCHEMBL6857996 0.84 MTNR1A (0.45) CYP1A2MTNR1AMTNR1B
SCHEMBL6857764 0.84 MTNR1A (0.45) CYP1A2MTNR1AMTNR1B
SCHEMBL5468751 0.82 ALDH1A1 (0.49) CYP1A2TSHR

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
EP-3512843-B1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-10-20 EP disclosed
US-11136292-B2 Plant growth regulator compounds SYNGENTA PARTICIPATIONS AG (CH) 2021-10-05 US disclosed
US-20190330148-A1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-10-31 US disclosed
WO-2018050477-A1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-03-22 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 (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-11136292-B2 Plant growth regulator compounds FGF1, MST1, CDC20 CYP1A2 3770/4885POLB 3208/4885MTNR1A 1155/4885
US-20190330148-A1 PLANT GROWTH REGULATOR COMPOUNDS FGF1, MST1, CDC20 CYP1A2 3770/4885POLB 3208/4885MTNR1A 1155/4885

“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.