SCHEMBL3764158

SCHEMBL3764158

Cc1ccccc1C(O)[C]=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
ACP3 P15309 1/20 0.44
GAA P10253 1/20 0.42
TSHR P16473 3/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
KCNH2 Q12809 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
OPRM1 P35372 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
SCHEMBL10836507 0.80 ESR1 (0.45) ESR1ACP3GAATSHRACHE
SCHEMBL5697209 0.80 TSHR (0.50) ESR1ACP3GAATSHRACHE
SCHEMBL198213 0.80 TSHR (0.50) ESR1ACP3GAATSHRACHE
SCHEMBL13993318 0.80 ESR1 (0.59) ESR1ACP3GAATSHRACHE
SCHEMBL30507724 0.78 ESR1 (0.56) ESR1ACP3GAATSHRACHE
SCHEMBL4429090 0.77 GABRA1 (0.48) TSHRALDH1A1MEN1LMNAMAPT
SCHEMBL9165861 0.77 ESR1 (0.46) ESR1ACP3GAATSHRACHE
SCHEMBL910441 0.77 ESR1 (0.46) ESR1ACP3GAATSHRACHE
SCHEMBL9698743 0.77 CA1 (0.46) TSHRACHEALDH1A1LMNAKMT2A
SCHEMBL8943608 0.76 CES2 (0.48) GAAALDH1A1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064285-B1 NOVEL CEPHALOTAXANE DERIVATIVES AND PROCESS FOR THEIR PREPARATION STRAGEN PHARMA SA (CH) 2005-02-16 EP claimed
EP-1064285-A1 NOVEL CEPHALOTAXANE DERIVATIVES AND PROCESS FOR THEIR PREPARATION Oncopharm Corporation (US) 2001-01-03 EP claimed
WO-1999048894-A1 NOVEL CEPHALOTAXANE DERIVATIVES AND PROCESS FOR THEIR PREPARATION ONCOPHARM CORPORATION (US) 1999-09-30 WO claimed
US-RE45128-E1 Cephalotaxane derivatives and their processes of preparation and purification IVAX International GmbH (CH) 2014-09-09 US disclosed
US-7842687-B2 Natural, synthetic or semi-synthetic crude harringtonines purified by chromatography and crystallization in which the solvent is water or lower C1-4 alkanol or an aqueous mixture of organic solvents; treatment of cancer through oral administration CHEMGENEX PHARMACEUTICALS, INC. (AU) 2010-11-30 US disclosed
US-7169774-B2 Cephalotaxane derivatives and their processes of preparation and purification STRAGEN PHARMA S.A. (CH) 2007-01-30 US disclosed
US-20060234999-A1 Cephalotaxane derivatives and their processes of preparation and purification TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2006-10-19 US disclosed
US-20050090484-A1 Cephalotaxane derivatives and their processes of preparation and purification IVAX International GmbH (CH) 2005-04-28 US disclosed
EP-1064285-B1 NOVEL CEPHALOTAXANE DERIVATIVES AND PROCESS FOR THEIR PREPARATION STRAGEN PHARMA SA (CH) 2005-02-16 EP disclosed
US-6831180-B1 Substituted tertiary carboxylic oxacycloalkane acids, used to prepare anhydro-homo-harringtonic acids by semi-synthesis; hydroxyl function of a cephalotaxane is esterified with a 2-carboxyl-2-alkyl-1-oxacycloalkane claimed intermediate; (indexing from 7169774 added) STRAGEN PHARMA SA. (CH) 2004-12-14 US disclosed
US-6613900-B2 Asymetric hemisynthesis of harringtonines and their analogs, that are alkaloids used in chemotherapy. ONCOPHARM CORPORATION 2003-09-02 US disclosed
US-20020045750-A1 Asymetric hemisynthesis of harringtonines and their analogs, that are alkaloids used in chemotherapy. IVAX International GmbH (CH) 2002-04-18 US disclosed
EP-1064285-A1 NOVEL CEPHALOTAXANE DERIVATIVES AND PROCESS FOR THEIR PREPARATION Oncopharm Corporation (US) 2001-01-03 EP disclosed
WO-1999048894-A1 NOVEL CEPHALOTAXANE DERIVATIVES AND PROCESS FOR THEIR PREPARATION ONCOPHARM CORPORATION (US) 1999-09-30 WO 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-20060234999-A1 Cephalotaxane derivatives and their processes of preparation and purification UGT1A7, CYP8B1, UGT2B7 ESR1 4758/4885ACP3 2299/4885GAA 1517/4885
US-20020045750-A1 Asymetric hemisynthesis of harringtonines and their analogs, that are alkaloids used in chemotherapy. AAAS, AARS1, AADAT ESR1 4814/4885ACP3 1195/4885GAA 690/4885
US-20050090484-A1 Cephalotaxane derivatives and their processes of preparation and purification UGT1A7, CYP8B1, UGT2B7 ESR1 4758/4885ACP3 2299/4885GAA 1517/4885

“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.