SCHEMBL18177863

SCHEMBL18177863

COc1ccc(OC)c(CNCCc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25C P30307 2/20 0.64
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
CA9 Q16790 2/20 0.60
CA12 O43570 1/20 0.60
CA4 P22748 1/20 0.60
ALDH1A1 P00352 5/20 0.58
MAPT P10636 4/20 0.58
HTT P42858 1/20 0.58
HTR2A P28223 3/20 0.58
TAAR1 Q96RJ0 1/20 0.56
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HTR2C P28335 1/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
KCNH2 Q12809 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51

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
Hydrochloric Acid SCHEMBL27940290 0.81 CA12 (0.64) CDC25CCA1CA2CA9CA12
SCHEMBL10032817 0.81 HTR2A (0.62) ALDH1A1HTR2AKDM4EMEN1KMT2A
SCHEMBL26098698 0.81 HTR2A (0.54) CDC25CCA1CA2CA9CA12
SCHEMBL5383983 0.78 CDC25C (0.60) CDC25CCA1CA2CA9CA12
SCHEMBL1917474 0.78 CDC25C (1.00) CDC25CCA1CA2CA9CA12
SCHEMBL9089402 0.78 CDC25C (0.69) CDC25CCA1CA2CA9CA12
SCHEMBL1148687 0.77 ALDH1A1 (0.57) CDC25CCA1CA2CA9CA12
SCHEMBL15265322 0.77 MEN1 (0.65) CA1CA2CA9CA12CA4
SCHEMBL7568708 0.76 CA12 (0.54) CDC25CCA1CA2CA9CA12
SCHEMBL7602158 0.76 CA12 (0.54) CDC25CCA1CA2CA9CA12

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-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 US disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 US disclosed
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage INVITROGEN CORPORATION 2016-10-27 US disclosed
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage INVITROGEN CORPORATION 2016-10-27 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 (3 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-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 CDC25C 1380/4885CA1 4547/4885CA2 3458/4885
US-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 CDC25C 1380/4885CA1 4547/4885CA2 3458/4885
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 CDC25C 1380/4885CA1 4547/4885CA2 3458/4885

“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.