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Sugi Predict / Compounds / SCHEMBL636275

SCHEMBL636275

SCHEMBL636275

C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.71
▸ SERPINA6 P08185 2/20 0.71
▸ SHBG P04278 2/20 0.71
▸ SLC22A1 O15245 1/20 0.71
▸ THRB P10828 1/20 0.71
▸ MAPT P10636 3/20 0.59
▸ CYP17A1 P05093 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ CYP19A1 P11511 2/20 0.58
▸ HIF1A Q16665 2/20 0.56
▸ MCL1 Q07820 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ LMNA P02545 3/20 0.54
▸ CYP3A4 P08684 2/20 0.53
▸ ABCB11 O95342 2/20 0.53
▸ PGR P06401 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53

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
SCHEMBL6462419 1.00 ALDH1A1 (0.71) ALDH1A1SERPINA6SHBGSLC22A1THRB
SCHEMBL6462806 1.00 ALDH1A1 (0.71) ALDH1A1SERPINA6SHBGSLC22A1THRB
SCHEMBL27757818 1.00 ALDH1A1 (0.71) ALDH1A1SERPINA6SHBGSLC22A1THRB
SCHEMBL9030382 1.00 ALDH1A1 (0.71) ALDH1A1SERPINA6SHBGSLC22A1THRB
SCHEMBL6466563 1.00 ALDH1A1 (0.71) ALDH1A1SERPINA6SHBGSLC22A1THRB
SCHEMBL17831148 1.00 ALDH1A1 (0.71) ALDH1A1SERPINA6SHBGSLC22A1THRB
SCHEMBL6463123 1.00 ALDH1A1 (0.71) ALDH1A1SERPINA6SHBGSLC22A1THRB
SCHEMBL6463120 1.00 ALDH1A1 (0.71) ALDH1A1SERPINA6SHBGSLC22A1THRB
SCHEMBL6462803 1.00 ALDH1A1 (0.71) ALDH1A1SERPINA6SHBGSLC22A1THRB
SCHEMBL17831182 1.00 ALDH1A1 (0.71) ALDH1A1SERPINA6SHBGSLC22A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160008376-A1 Compositions, Methods and Uses for Treating Gender-Biased Immune Disorders BIOCOPEA LIMITED (GB) 2016-01-14 — — US claimed
WO-2016005599-A1 COMPOSITIONS, METHODS AND USES FOR TREATING GENDER-BIASED IMMUNE DISORDERS BIOCOPEA LIMITED (GB) 2016-01-14 — — WO claimed
US-9016221-B2 Surface topographies for non-toxic bioadhesion control UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-04-28 — — US claimed
US-20110003748-A1 Method of treatment and compositions of D-chiro inositol and phosphates thereof JENNINGS-SPRING BARBARA L 2011-01-06 — — US claimed
US-20100226943-A1 SURFACE TOPOGRAPHIES FOR NON-TOXIC BIOADHESION CONTROL UNIVERSITY OF FLORIDA (US) 2010-09-09 — — US claimed
US-20090214474-A1 Compounds, methods, and treatments for abnormal signaling pathways for prenatal and postnatal development JENNINGS BARBARA BROOKE 2009-08-27 — — US claimed
EP-2077844-A2 METHOD OF TREQATMENT AND COMPOSITIONS OF D-CHRIRO INOSITOL AND PHOSPHATES THEREOF Jennings-Spring, Barbara L. (US) 2009-07-15 — — EP claimed
CN-101330905-A Freeze-drying process and products obtained thereby SCIDOSE LLC (US) 2008-12-24 — — CN claimed
EP-1954244-A1 LYOPHILIZATION PROCESS AND PRODUCTS OBTAINED THEREBY Scidose, Llc (US) 2008-08-13 — — EP claimed
US-20080138379-A1 Preventing birth defects; administering formulation to women from preconception through first trimester of pregnancy JENNINGS-SPRING BARBARA L 2008-06-12 — — US claimed
US-5389623-A Redox carriers for brain-specific drug delivery UNIVERSITY OF FLORIDA (US) 1995-02-14 — — US claimed
EP-0577725-A1 TARGETED DRUG DELIVERY VIA MIXED PHOSPHATE DERIVATIVES UNIVERSITY OF FLORIDA (US) 1994-01-12 — — EP claimed
EP-0539493-A4 TARGETED DRUG DELIVERY VIA PHOSPHONATE DERIVATIVES — 1993-06-02 — — EP claimed
EP-0539493-A1 TARGETED DRUG DELIVERY VIA PHOSPHONATE DERIVATIVES. BODOR NICHOLAS S (US) 1993-05-05 — — EP claimed
WO-1992017185-A1 TARGETED DRUG DELIVERY VIA MIXED PHOSPHATE DERIVATIVES UNIVERSITY OF FLORIDA (US) 1992-10-15 — — WO claimed
WO-1992000988-A1 TARGETED DRUG DELIVERY VIA PHOSPHONATE DERIVATIVES BODOR NICHOLAS S (US) 1992-01-23 — — WO claimed
EP-0222425-A2 Brain-specific drug delivery UNIVERSITY OF FLORIDA (US) 1987-05-20 — — EP claimed
EP-0218300-A2 Brain-specific drug delivery UNIVERSITY OF FLORIDA (US) 1987-04-15 — — EP claimed
US-4540564-A DIHYDROPYRIDINE AND/OR PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1985-09-10 — — US claimed
US-4346709-A Drug delivery devices comprising erodible polymer and erosion rate modifier ALZA CORPORATION (US) 1982-08-31 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20110003748-A1 Method of treatment and compositions of D-chiro inositol and phosphates thereof PPIP5K2, SHBG, CYP24A1 ALDH1A1 2087/4885SERPINA6 800/4885SHBG 2/4885
US-20080138379-A1 Preventing birth defects; administering formulation to women from preconception through first trimester of pregnancy PGF, ERH, BRCA1 ALDH1A1 2034/4885SERPINA6 1869/4885SHBG 444/4885
US-20090214474-A1 Compounds, methods, and treatments for abnormal signaling pathways for prenatal and postnatal development SHH, ERH, CDK5 ALDH1A1 1846/4885SERPINA6 3037/4885SHBG 2076/4885

“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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