SCHEMBL19472000

SCHEMBL19472000

C(=Cc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.78
CYP3A4 P08684 2/20 0.77
ATM Q13315 1/20 0.77
HSD17B10 Q99714 2/20 0.69
ALDH1A1 P00352 2/20 0.69
TDP1 Q9NUW8 1/20 0.69
NPC1 O15118 1/20 0.65
MTOR P42345 1/20 0.65
RAB9A P51151 1/20 0.65
VCP P55072 1/20 0.65
CYP1A2 P05177 1/20 0.61
PGR P06401 1/20 0.59
AR P10275 1/20 0.59
GABRA1 P14867 1/20 0.59
MAOA P21397 1/20 0.59
SLC6A2 P23975 1/20 0.59
PDE4A P27815 1/20 0.59
KDR P35968 1/20 0.59
GABRB2 P47870 1/20 0.59
SLC6A3 Q01959 1/20 0.59

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
SCHEMBL1666984 0.90 CYP19A1 (0.71) CYP19A1CYP3A4ATMHSD17B10ALDH1A1
SCHEMBL21933260 0.88 CYP19A1 (1.00) CYP19A1CYP3A4ATMHSD17B10ALDH1A1
SCHEMBL19092907 0.88 CYP19A1 (1.00) CYP19A1CYP3A4ATMHSD17B10ALDH1A1
SCHEMBL21933269 0.88 CYP19A1 (0.69) CYP19A1CYP3A4ATMHSD17B10ALDH1A1
SCHEMBL8648211 0.88 CYP19A1 (0.69) CYP19A1CYP3A4ATMHSD17B10ALDH1A1
SCHEMBL8648215 0.88 CYP19A1 (0.69) CYP19A1CYP3A4ATMHSD17B10ALDH1A1
SCHEMBL19092881 0.88 CYP19A1 (0.69) CYP19A1CYP3A4ATMHSD17B10ALDH1A1
Isosafrole SCHEMBL345862 0.87 CYP3A4 (1.00) CYP19A1CYP3A4ATMHSD17B10ALDH1A1
Isosafrole SCHEMBL7075676 0.87 CYP3A4 (1.00) CYP19A1CYP3A4ATMHSD17B10ALDH1A1
Isosafrole SCHEMBL29365996 0.87 CYP3A4 (1.00) CYP19A1CYP3A4ATMHSD17B10ALDH1A1

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-10435394-B2 Plant growth-promotion agent and method for promoting plant growth RIKEN (JP) 2019-10-08 US disclosed
US-20170305886-A1 PLANT GROWTH-PROMOTION AGENT AND METHOD FOR PROMOTING PLANT GROWTH RIKEN (JP) 2017-10-26 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-10435394-B2 Plant growth-promotion agent and method for promoting plant growth NPR1, NAT1, NOS1 CYP19A1 742/4885CYP3A4 4258/4885ATM 3239/4885
US-20170305886-A1 PLANT GROWTH-PROMOTION AGENT AND METHOD FOR PROMOTING PLANT GROWTH NPR1, NAT1, NOS1 CYP19A1 742/4885CYP3A4 4258/4885ATM 3239/4885

“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.