SCHEMBL5336088

SCHEMBL5336088

C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2(O)O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 13/20 0.81
ESR1 P03372 3/20 0.74
CYP3A4 P08684 2/20 0.74
ESR2 Q92731 2/20 0.74
ABCB11 O95342 2/20 0.74
SLC22A2 O15244 1/20 0.74
NR1I2 O75469 1/20 0.74
NR3C1 P04150 1/20 0.74
SHBG P04278 1/20 0.74
PGR P06401 1/20 0.74
HTR1A P08908 1/20 0.74
ADORA3 P0DMS8 1/20 0.74
AR P10275 1/20 0.74
ADRB3 P13945 1/20 0.74
CYP2B6 P20813 1/20 0.74
TBXA2R P21731 1/20 0.74
UGT1A1 P22309 1/20 0.74
SLC6A2 P23975 1/20 0.74
PDE4A P27815 1/20 0.74
ADORA2A P29274 1/20 0.74

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
SCHEMBL5324130 0.90 STS (1.00) STSESR1CYP3A4ESR2ABCB11
SCHEMBL3867797 0.90 STS (1.00) STSESR1CYP3A4ESR2ABCB11
SCHEMBL13266169 0.90 STS (1.00) STSESR1CYP3A4ESR2ABCB11
SCHEMBL19393201 0.90 STS (1.00) STSESR1CYP3A4ESR2ABCB11
SCHEMBL17775797 0.88 STS (0.79) STSESR1CYP3A4ESR2ABCB11
SCHEMBL8937142 0.88 STS (0.78) STSESR1CYP3A4ESR2ABCB11
SCHEMBL14154435 0.88 STS (0.78) STSESR1CYP3A4ESR2ABCB11
SCHEMBL27047081 0.87 STS (0.77) STSESR1CYP3A4ESR2ABCB11
SCHEMBL4903623 0.86 STS (1.00) STSESR1CYP3A4ESR2ABCB11
SCHEMBL4903619 0.86 STS (1.00) STSESR1CYP3A4ESR2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874642-B1 SUSTAINED RELEASE DRUG FORMULATIONS SOD CONSEILS RECH APPLIC (FR) 2003-05-02 EP claimed
US-4622181-A Process for producing an estrone acetal MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1986-11-11 US claimed
US-3963766-A Process for separation of 19-nor-Δ4 -androstene-3,17-dione MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1976-06-15 US claimed
JP-60169496-A None JP disclosed
CN-112492881-A Reagent for mass spectrometry 豪夫迈·罗氏有限公司 2021-03-12 CN disclosed
US-7198776-B2 Metal complex compounds GE HEALTHCARE AS (NO) 2007-04-03 US disclosed
US-20050090653-A1 Metal complex compounds GE HEALTHCARE AS (NO) 2005-04-28 US disclosed
EP-1465669-A1 METAL COMPLEX COMPOUNDS Amersham Health AS (NO) 2004-10-13 EP disclosed
US-20030170173-A1 Contrast agents GE HEALTHCARE AS (NO) 2003-09-11 US disclosed
WO-2003045442-A1 METAL COMPLEX COMPOUNDS AMERSHAM HEALTH AS (NO) 2003-06-05 WO disclosed
WO-2003045441-A1 CONTRAST AGENTS FOR THE IN VIVO DETECTION OF ENZYME ACTIVITY AMERSHAM HEALTH AS (NO) 2003-06-05 WO disclosed
WO-1997026015-A1 SUSTAINED RELEASE DRUG FORMULATIONS DELAB (FR) 1997-07-24 WO disclosed
US-4622181-A Process for producing an estrone acetal MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1986-11-11 US disclosed
US-4622181-A Process for producing an estrone acetal MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1986-11-11 US disclosed
US-4622181-A Process for producing an estrone acetal MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1986-11-11 US disclosed
JP-S60169496-A PREPARATION OF ESTRONE ACETAL MITSUBISHI CHEM IND LTD 1985-09-02 JP disclosed
WO-1984003094-A1 PROCESS FOR PREPARING ESTRONE ACETAL MITSUBISHI CHEM IND (JP) 1984-08-16 WO disclosed
WO-1984003094-A1 PROCESS FOR PREPARING ESTRONE ACETAL MITSUBISHI CHEM IND (JP) 1984-08-16 WO disclosed
US-3963766-A Process for separation of 19-nor-Δ4 -androstene-3,17-dione MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1976-06-15 US disclosed
US-3963766-A Process for separation of 19-nor-Δ4 -androstene-3,17-dione MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1976-06-15 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-20030170173-A1 Contrast agents GBA1, RNASE1, MAN2B1 STS 854/4885ESR1 4572/4885CYP3A4 1403/4885
US-20050090653-A1 Metal complex compounds ME3, MPI, ME2 STS 2042/4885ESR1 3980/4885CYP3A4 697/4885

“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.