SCHEMBL4246837

SCHEMBL4246837

C=C(O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
TDP1 Q9NUW8 2/20 0.54
SLC6A2 P23975 2/20 0.54
SLC6A3 Q01959 2/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
KMT2A Q03164 1/20 0.54
TSHR P16473 2/20 0.52
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HCAR2 Q8TDS4 1/20 0.48
IDO1 P14902 1/20 0.48
AGXT P21549 1/20 0.46
CYP1A2 P05177 1/20 0.45
PTGS1 P23219 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL19057196 0.85 ALDH1A1 (0.56) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL27509184 0.85 ALDH1A1 (0.56) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL676433 0.81 ALDH1A1 (0.52) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL156493 0.81 ALDH1A1 (0.63) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL15797836 0.81 ALDH1A1 (0.52) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL10383976 0.81 TDP1 (0.55) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL14530533 0.81 ALDH1A1 (0.52) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL13189381 0.81 ALDH1A1 (0.63) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL8259800 0.81 ALDH1A1 (0.52) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL5367985 0.79 TDP1 (0.59) ALDH1A1TDP1SLC6A2SLC6A3MAPK1

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-7678765-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2010-03-16 US disclosed
EP-2022481-A1 Conditioning composition for keratinic fibres KPSS-Kao Professional Salon Services GmbH (DE) 2009-02-11 EP disclosed
US-7348310-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2008-03-25 US disclosed
US-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A., A SPAIN CORPORATION 2008-01-10 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-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them MCL1, APLNR, PAICS ALDH1A1 1787/4885TDP1 1683/4885SLC6A2 4420/4885

“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.