SCHEMBL6427429

SCHEMBL6427429

CCCCCSCOCSCCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.43
THRB P10828 2/20 0.43
GMNN O75496 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
BLM P54132 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PRKD3 O94806 3/20 0.42
PRKCG P05129 3/20 0.42
PRKCB P05771 3/20 0.42
PRKCA P17252 3/20 0.42
PRKCH P24723 3/20 0.42
PRKCI P41743 3/20 0.42
PRKCE Q02156 3/20 0.42
PRKCQ Q04759 3/20 0.42
PRKCZ Q05513 3/20 0.42
PRKCD Q05655 3/20 0.42
PRKD1 Q15139 3/20 0.42

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
SCHEMBL8486597 0.92 CES1 (0.41) CES2THRBGMNNTP53POLB
SCHEMBL9320634 0.85 HTT (0.45) CES2THRBGMNNTP53POLB
SCHEMBL226036 0.78 CES2 (0.52) CES2THRBGMNNTP53POLB
Ether SCHEMBL23576143 0.78 CES2 (0.43) CES2THRBGMNNTP53POLB
SCHEMBL199047 0.76 THRB (0.57) CES2THRBGMNNTP53POLB
SCHEMBL198942 0.76 THRB (0.57) CES2THRBGMNNTP53POLB
SCHEMBL200026 0.76 THRB (0.57) CES2THRBGMNNTP53POLB
SCHEMBL24370114 0.76 THRB (0.57) CES2THRBGMNNTP53POLB
SCHEMBL200549 0.76 THRB (0.57) CES2THRBGMNNTP53POLB
SCHEMBL24362145 0.76 THRB (0.57) CES2THRBGMNNTP53POLB

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 7 patents. 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 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
US-6861390-B2 Derivatives of UK-2A DOW AGROSCIENCES LLC (US) 2005-03-01 US disclosed
US-20040192924-A1 Derivatives of uk-2a CORTEVA AGRISCIENCE LLC 2004-09-30 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 (2 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-20040192924-A1 Derivatives of uk-2a TOP2A, RAB2A, UBA2 CES2 56/4885THRB 2707/4885GMNN 2865/4885
US-20160229885-A1 PROCESS FOR THE PREPARATION OF ESTETROL SRD5A2, VKORC1L1, SRD5A1 CES2 57/4885THRB 1097/4885GMNN 3907/4885

“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.