SCHEMBL20109332

SCHEMBL20109332

CCOC(=O)C=C=Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CTDSP1 Q9GZU7 1/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 7/20 0.42
TSHR P16473 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
RAB9A P51151 4/20 0.41
LMNA P02545 3/20 0.41
MDM2 Q00987 3/20 0.41
NPC1 O15118 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL30009568 0.82 LMNA (0.59) KMT2AALDH1A1POLBCA12CA7
SCHEMBL8014335 0.81 RAB9A (0.50) MEN1KMT2ACTDSP1ALDH1A1SMN1; SMN2
SCHEMBL226537 0.77 MEN1 (0.59) MEN1KMT2ACTDSP1ALDH1A1SMN1; SMN2
SCHEMBL14890386 0.77 NFKB1 (0.38) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL11372177 0.76 MEN1 (0.54) MEN1KMT2ACTDSP1ALDH1A1SMN1; SMN2
SCHEMBL11372184 0.76 MEN1 (0.54) MEN1KMT2ACTDSP1ALDH1A1SMN1; SMN2
SCHEMBL9869485 0.76 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL11533016 0.76 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL9869478 0.76 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL7672001 0.75 HCAR2 (0.50) ALDH1A1MAPTTSHRCA12CA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108821975-B Hydrogenated phenanthrene derivative containing exocyclic double bond and preparation method thereof 安徽师范大学 2021-01-05 CN claimed
CN-108821975-A A kind of hydrogenation phenanthrene derivatives and preparation method thereof containing exocyclic double bond 安徽师范大学 2018-11-16 CN claimed
CN-108821975-B Hydrogenated phenanthrene derivative containing exocyclic double bond and preparation method thereof 安徽师范大学 2021-01-05 CN disclosed
CN-108821975-A A kind of hydrogenation phenanthrene derivatives and preparation method thereof containing exocyclic double bond 安徽师范大学 2018-11-16 CN disclosed
CN-108821975-A A kind of hydrogenation phenanthrene derivatives and preparation method thereof containing exocyclic double bond 安徽师范大学 2018-11-16 CN disclosed
US-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 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-20180118770-A1 N-Heterocyclic Phosphines NANP, PPIP5K2, PHPT1 MEN1 469/4885KMT2A 2508/4885CTDSP1 605/4885

“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.