SCHEMBL16586149

SCHEMBL16586149

c1ccc(SCCOCCSc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
MAPK1 P28482 1/20 0.70
KDM4E B2RXH2 2/20 0.56
TP53 P04637 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 1/20 0.47
HIF1A Q16665 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
FFAR1 O14842 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL18826755 0.89 ALDH1A1 (0.56) ALDH1A1MAPK1KDM4ETP53TDP1
Hydrochloric Acid SCHEMBL8101543 0.87 ALDH1A1 (0.54) ALDH1A1MAPK1KDM4ETP53TDP1
SCHEMBL2733001 0.87 ALDH1A1 (0.54) ALDH1A1MAPK1KDM4ETP53TDP1
SCHEMBL9016358 0.86 ALDH1A1 (0.58) ALDH1A1MAPK1KDM4ETP53TDP1
SCHEMBL14652837 0.86 ALDH1A1 (0.58) ALDH1A1MAPK1KDM4ETP53TDP1
SCHEMBL29887576 0.84 ALDH1A1 (0.56) ALDH1A1MAPK1KDM4ETP53TDP1
SCHEMBL776647 0.83 ALDH1A1 (1.00) ALDH1A1MAPK1KDM4ECYP1A2CYP2D6
SCHEMBL5640962 0.81 ALDH1A1 (0.56) ALDH1A1MAPK1KDM4ETP53TDP1
SCHEMBL11380109 0.81 ALDH1A1 (0.52) ALDH1A1MAPK1KDM4ETP53TDP1
SCHEMBL11253716 0.80 ALDH1A1 (0.64) ALDH1A1MAPK1KDM4ETP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250331405-A1 DISPLAY DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2025-10-23 US disclosed
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

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 ALDH1A1 591/4885MAPK1 2081/4885KDM4E 293/4885

“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.