SCHEMBL1733822

SCHEMBL1733822

CC(C)=CCCC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
SLC13A5 Q86YT5 12/20 0.41
ALOX15 P16050 1/20 0.41
SLC13A2 Q13183 1/20 0.38
SLC13A3 Q8WWT9 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
HMGCR P04035 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35

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
SCHEMBL5554363 1.00 ALDH1A1 (0.52) ALDH1A1SLC13A5ALOX15SLC13A2SLC13A3
SCHEMBL1734711 0.82 ALOX15 (0.37) ALDH1A1SLC13A5ALOX15SLC13A2SLC13A3
Citric Acid SCHEMBL19212595 0.82 ALOX15 (0.67) ALDH1A1SLC13A5ALOX15SLC13A2SLC13A3
SCHEMBL14633990 0.80 ALDH1A1 (0.56) ALDH1A1SLC13A5ALOX15KDM4EATM
SCHEMBL6436094 0.78 HMGCR (0.54) ALDH1A1ALOX15KDM4EATMHMGCR
Citric Acid SCHEMBL20481370 0.76 KMT2A (0.59) ALDH1A1ALOX15KDM4EATMFNTA
SCHEMBL4748771 0.75 ALOX15 (0.52) ALDH1A1ALOX15KDM4EATMTSHR
Citric Acid SCHEMBL8107350 0.74 ALDH1A1 (0.83) ALDH1A1SLC13A5ALOX15KDM4EHMGCR
Citric Acid SCHEMBL1735796 0.74 ALDH1A1 (0.83) ALDH1A1SLC13A5ALOX15KDM4EHMGCR
Citric Acid SCHEMBL10934305 0.74 ALDH1A1 (0.83) ALDH1A1SLC13A5ALOX15KDM4EHMGCR

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1907371-A1 PROCESS FOR PREPARING 2-METHOXYCARBONYLMETHYL-6,6-DIMETHYL-2- TETRAHYDROPYRAN CARBOXYLIC ACID ERREGIERRE S.p.A. (IT) 2008-04-09 EP claimed
WO-2007009953-A1 PROCESS FOR PREPARING 2-METHOXYCARBONYLMETHYL-6,6-DIMETHYL-2- TETRAHYDROPYRAN CARBOXYLIC ACID ERREGIERRE S.P.A. (IT) 2007-01-25 WO claimed
WO-2018019549-A1 DIOXOLANONE INTERMEDIATE USEFUL IN THE SYNTHESIS OF HOMOHARRINGTONINE INDENA S.P.A. (IT) 2018-02-01 WO disclosed
EP-3275875-A1 DIOXOLANONE INTERMEDIATE USEFUL IN THE SYNTHESIS OF HOMOHARRINGTONINE INDENA S.p.A. (IT) 2018-01-31 EP disclosed
US-RE45128-E1 Cephalotaxane derivatives and their processes of preparation and purification IVAX International GmbH (CH) 2014-09-09 US disclosed
US-RE45128-E1 Cephalotaxane derivatives and their processes of preparation and purification IVAX International GmbH (CH) 2014-09-09 US disclosed
EP-1907371-B1 PROCESS FOR PREPARING 2-METHOXYCARBONYLMETHYL-6,6-DIMETHYL-2- TETRAHYDROPYRAN CARBOXYLIC ACID ERREGIERRE SPA (IT) 2011-11-23 EP disclosed
EP-1907371-B1 PROCESS FOR PREPARING 2-METHOXYCARBONYLMETHYL-6,6-DIMETHYL-2- TETRAHYDROPYRAN CARBOXYLIC ACID ERREGIERRE SPA (IT) 2011-11-23 EP disclosed
EP-1907371-B1 PROCESS FOR PREPARING 2-METHOXYCARBONYLMETHYL-6,6-DIMETHYL-2- TETRAHYDROPYRAN CARBOXYLIC ACID ERREGIERRE SPA (IT) 2011-11-23 EP disclosed
US-8008514-B2 Process for preparing 2-methoxycarbonylmethyl-6,6-dimethyl-2-tetrahydropyran carboxylic acid ERREGIERRE S.P.A. (IT) 2011-08-30 US disclosed
US-8008514-B2 Process for preparing 2-methoxycarbonylmethyl-6,6-dimethyl-2-tetrahydropyran carboxylic acid ERREGIERRE S.P.A. (IT) 2011-08-30 US disclosed
WO-2007009953-A1 PROCESS FOR PREPARING 2-METHOXYCARBONYLMETHYL-6,6-DIMETHYL-2- TETRAHYDROPYRAN CARBOXYLIC ACID ERREGIERRE S.P.A. (IT) 2007-01-25 WO 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 ALDH1A1 1136/4885SLC13A5 1151/4885ALOX15 1186/4885
US-20020045750-A1 Asymetric hemisynthesis of harringtonines and their analogs, that are alkaloids used in chemotherapy. AAAS, AARS1, AADAT ALDH1A1 804/4885SLC13A5 3516/4885ALOX15 722/4885
US-20050090484-A1 Cephalotaxane derivatives and their processes of preparation and purification UGT1A7, CYP8B1, UGT2B7 ALDH1A1 1136/4885SLC13A5 1151/4885ALOX15 1186/4885

“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.