SCHEMBL16586148

SCHEMBL16586148

CC(OC(C)Sc1ccccc1)Sc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ SLC6A4 P31645 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ TUBA1B P68363 1/20 0.35
▸ TUBA4A P68366 1/20 0.35
▸ TUBB4B P68371 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
SCHEMBL9016355 0.78 MAOA (0.35) MAOAMAOBSMN1; SMN2MAPTHPGD
SCHEMBL1727364 0.76 NR1H2 (0.44) SMN1; SMN2MAPTHPGDHSD17B10LMNA
SCHEMBL8901578 0.76 MAOA (0.44) MAOAMAOBSMN1; SMN2LMNAALDH1A1
SCHEMBL5540954 0.76 LMNA (0.36) MAOAMAOBSMN1; SMN2MAPTHPGD
SCHEMBL5540949 0.76 LMNA (0.36) MAOAMAOBSMN1; SMN2MAPTHPGD
SCHEMBL5173197 0.76 SMN1; SMN2 (0.45) MAOAMAOBSMN1; SMN2MAPTHPGD
SCHEMBL343269 0.76 SMN1; SMN2 (0.45) MAOAMAOBSMN1; SMN2MAPTHPGD
SCHEMBL1453001 0.76 SMN1; SMN2 (0.45) MAOAMAOBSMN1; SMN2MAPTHPGD
SCHEMBL1713865 0.75 SMN1; SMN2 (0.50) MAOAMAOBSMN1; SMN2MAPTHPGD
SCHEMBL9348219 0.75 CA1 (0.48) SMN1; SMN2MAPTL3MBTL1TDP1LMNA

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 5 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

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 MAOA 1467/4885MAOB 1009/4885SMN1; SMN2 841/4885

“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.

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