SCHEMBL16163159

SCHEMBL16163159

C=CC1(C)Nc2c(cc(OC)c(OC)c2OC)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
GSK3B P49841 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TUBB4A P04350 3/20 0.33
TUBB P07437 3/20 0.33
TUBA3C P0DPH7 3/20 0.33
TUBA1B P68363 3/20 0.33
TUBA4A P68366 3/20 0.33
TUBB4B P68371 3/20 0.33

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
SCHEMBL16170241 0.82
SCHEMBL16163205 0.80 CA1 (0.41) CA1CA2CA7CA9KDM4E
SCHEMBL16163073 0.78 CA1 (0.37) CA1CA2CA7CA9KDM4E
SCHEMBL16163339 0.74 GRIN2D (0.40) CA1CA2CA7CA9MAPT
SCHEMBL16163155 0.72 PDE7A (0.42) CA1CA2CA7CA9MEN1
SCHEMBL27807352 0.67 L3MBTL1 (0.48) TOP1CA1CA2CA7CA9
SCHEMBL16170254 0.61 CDK4 (0.33) GSK3BHTTCYP19A1NQO2EPHX2
SCHEMBL16170252 0.60 ALDH1A1 (0.30) GSK3BALDH1A1
SCHEMBL28412969 0.59 ATM (0.44) MEN1KMT2ATDP1SMN1; SMN2TUBB4A
SCHEMBL14773652 0.59 CA1 (0.48) CA1CA2CA7CA9KDM4E

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-9145364-B2 Synthesis of psuedo indoxyl derivatives COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-09-29 US disclosed
US-9145364-B2 Synthesis of psuedo indoxyl derivatives COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-09-29 US disclosed
US-20140309434-A1 SYNTHESIS OF PSUEDO INDOXYL DERIVATIVES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-10-16 US disclosed
US-20140309434-A1 SYNTHESIS OF PSUEDO INDOXYL DERIVATIVES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-10-16 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-20140309434-A1 SYNTHESIS OF PSUEDO INDOXYL DERIVATIVES IPO4, IPO11, IDO2 TOP1 1455/4885CA1 4820/4885CA2 4609/4885

“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.