SCHEMBL11954829

SCHEMBL11954829

COc1cc(C)c(P(C2CCCCC2)C2CCCCC2)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
CKS1B P61024 1/20 0.35
SKP2 Q13309 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CASP1 P29466 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL11894755 0.92 MEN1 (0.38) HTTGAAMEN1KMT2ALMNA
SCHEMBL11894867 0.86 KMT2A (0.35) HTTGAAMEN1KMT2ALMNA
SCHEMBL30958865 0.77 MEN1 (0.39) HTTMEN1KMT2ACKS1BSKP2
SCHEMBL11954834 0.75 ABCB1 (0.40) HTTGAASMN1; SMN2LMNAALDH1A1
SCHEMBL12960857 0.75 KMT2A (0.34) HTTGAASMN1; SMN2MEN1KMT2A
SCHEMBL3631669 0.75 ROCK2 (0.48) MEN1KMT2AALDH1A1
SCHEMBL29527653 0.74 CA12 (0.44) HTTMEN1KMT2ALMNAMAPT
SCHEMBL16694207 0.74 MEN1 (0.42) HTTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL17244833 0.73 ABCB1 (0.38) GAASMN1; SMN2LMNAMAPTTSHR
SCHEMBL16018026 0.73 CNR2 (0.40) MEN1KMT2A

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-9006491-B2 Structure and method for synthesizing and using dialkyl(2,4,6- or 2,6-alkoxyphenyl)phosphine and its tetrafluoroborate ZHEJIANG UNIVERSITY (CN) 2015-04-14 US disclosed
US-20120197030-A1 STRUCTURE AND METHOD FOR SYNTHESIZING AND USING DIALKYL(2,4,6- OR 2,6-ALKOXYPHENYL)PHOSPHINE AND ITS TETRAFLUOROBORATE ZHEJIANG UNIVERSITY (CN) 2012-08-02 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-20120197030-A1 STRUCTURE AND METHOD FOR SYNTHESIZING AND USING DIALKYL(2,4,6- OR 2,6-ALKOXYPHENYL)PHOSPHINE AND ITS TETRAFLUOROBORATE PTK6, DCLK2, ERBB2 HTT 3533/4885GAA 3105/4885SMN1; SMN2 4433/4885

“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.