SCHEMBL2398433

SCHEMBL2398433

C=CC(OCCCCC)OC(C=C)OCCCCC

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.41
ALDH1A1 P00352 2/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TSHR P16473 3/20 0.34
HPGD P15428 1/20 0.32
LPAR1 Q92633 4/20 0.32
LPAR3 Q9UBY5 4/20 0.32
LPAR2 Q9HBW0 1/20 0.32

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
SCHEMBL1818543 0.98 DNM1 (0.44) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL11010126 0.89 DNM1 (0.47) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL27534986 0.84
SCHEMBL6752694 0.84 TSHR (0.40) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL15384183 0.83 DNM1 (0.42) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL6273275 0.83 DNM1 (0.42) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL4510013 0.80 DNM1 (0.36) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL4510009 0.79 DNM1 (0.35) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL9235342 0.79 DNM1 (0.35) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL6730804 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988417-B2 Process for the preparation of estetrol CRYSTAL PHARMA, S.A.U. (ES) 2018-06-05 US claimed
EP-3046928-B1 PROCESS FOR THE PREPARATION OF ESTETROL CRYSTAL PHARMA SAU (ES) 2017-02-08 EP claimed
US-20160229885-A1 PROCESS FOR THE PREPARATION OF ESTETROL CRYSTAL PHARMA, S.A.U. (ES) 2016-08-11 US claimed
EP-3046928-A1 PROCESS FOR THE PREPARATION OF ESTETROL Crystal Pharma, S.A.U. (ES) 2016-07-27 EP claimed
WO-2015040051-A1 PROCESS FOR THE PREPARATION OF ESTETROL CRYSTAL PHARMA, S.A.U. (ES) 2015-03-26 WO claimed
WO-2013034780-A2 PROCESS FOR THE PREPARATION OF ESTETROL AND RELATED COMPOUNDS CRYSTAL PHARMA, S.A.U. (ES) 2013-03-14 WO claimed
US-9988417-B2 Process for the preparation of estetrol CRYSTAL PHARMA, S.A.U. (ES) 2018-06-05 US disclosed
EP-3046928-B1 PROCESS FOR THE PREPARATION OF ESTETROL CRYSTAL PHARMA SAU (ES) 2017-02-08 EP disclosed
US-20160229885-A1 PROCESS FOR THE PREPARATION OF ESTETROL CRYSTAL PHARMA, S.A.U. (ES) 2016-08-11 US disclosed
EP-3046928-A1 PROCESS FOR THE PREPARATION OF ESTETROL Crystal Pharma, S.A.U. (ES) 2016-07-27 EP disclosed
WO-2015040051-A1 PROCESS FOR THE PREPARATION OF ESTETROL CRYSTAL PHARMA, S.A.U. (ES) 2015-03-26 WO disclosed
WO-2013034780-A2 PROCESS FOR THE PREPARATION OF ESTETROL AND RELATED COMPOUNDS CRYSTAL PHARMA, S.A.U. (ES) 2013-03-14 WO disclosed
US-8017776-B2 Methods for synthesis of acyloxyalkyl compounds XENOPORT, INC. (US) 2011-09-13 US disclosed
CN-1116292-C Process for preparing benzodihydropyranol deriv. BASF AG (DE) 2003-07-30 CN disclosed
WO-2001020331-A9 SUBSTRATES AND SCREENING METHODS FOR TRANSPORT PROTEINS XENOPORT INC (US) 2002-10-03 WO disclosed
EP-1212619-A1 SUBSTRATES AND SCREENING METHODS FOR TRANSPORT PROTEINS Xenoport, Inc. (US) 2002-06-12 EP disclosed
WO-2001020331-A1 SUBSTRATES AND SCREENING METHODS FOR TRANSPORT PROTEINS XENOPORT, INC. (US) 2001-03-22 WO disclosed
CN-1249306-A Process for preparing benzodihydropyranol deriv. BASF AG (DE) 2000-04-05 CN disclosed
US-5659021-A Chiral glycerol derivatives THE BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 1997-08-19 US disclosed
US-4931575-A Chiral glycerol derivatives THE BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 1990-06-05 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-20160229885-A1 PROCESS FOR THE PREPARATION OF ESTETROL SRD5A2, VKORC1L1, SRD5A1 DNM1 3635/4885ALDH1A1 591/4885CNR1 1688/4885

“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.