Sugi Predict

Sugi Predict / Compounds / SCHEMBL4749451

SCHEMBL4749451

SCHEMBL4749451

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.59
▸ CYP3A4 P08684 6/20 0.59
▸ SMN1; SMN2 Q16637 6/20 0.59
▸ LMNA P02545 4/20 0.59
▸ MAPT P10636 4/20 0.59
▸ SERPINA6 P08185 4/20 0.59
▸ MAPK1 P28482 3/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ TSHR P16473 2/20 0.59
▸ HIF1A Q16665 2/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ ABCB11 O95342 2/20 0.59
▸ SHBG P04278 2/20 0.59
▸ GPBAR1 Q8TDU6 2/20 0.59
▸ NR3C2 P08235 2/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ SLC22A2 O15244 1/20 0.59
▸ SLC22A1 O15245 1/20 0.59

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
SCHEMBL138289 0.88 ALDH1A1 (0.67) ALDH1A1CYP3A4SMN1; SMN2LMNAMAPT
SCHEMBL220822 0.87 ALDH1A1 (0.62) ALDH1A1CYP3A4SMN1; SMN2LMNAMAPT
SCHEMBL9360183 0.87 CYP3A4 (0.62) ALDH1A1CYP3A4SMN1; SMN2LMNAMAPT
SCHEMBL10893814 0.87 ALDH1A1 (0.62) ALDH1A1CYP3A4SMN1; SMN2LMNAMAPT
SCHEMBL6684640 0.86 CYP3A4 (0.61) ALDH1A1CYP3A4SMN1; SMN2LMNAMAPT
Acetic Acid SCHEMBL582377 0.86 ALDH1A1 (0.64) ALDH1A1CYP3A4SMN1; SMN2LMNAMAPT
SCHEMBL28255051 0.85 CYP3A4 (0.59) ALDH1A1CYP3A4SMN1; SMN2LMNAMAPT
Water SCHEMBL15951778 0.85 ALDH1A1 (0.59) ALDH1A1CYP3A4SMN1; SMN2LMNAMAPT
SCHEMBL28718285 0.85 CYP3A4 (0.59) ALDH1A1CYP3A4SMN1; SMN2LMNAMAPT
SCHEMBL2042111 0.84 CYP3A4 (0.58) ALDH1A1CYP3A4SMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106399342-A Recombinant plasmid, recombinant bacterium, construction method of recombinant plasmid and application of recombinant plasmid 天津大学 2017-02-15 — — CN claimed
US-20230357309-A1 PROGESTERONE PHOSPHATE ANALOGS AND USES RELATED THERETO EMORY UNIVERSITY 2023-11-09 — — US disclosed
US-11725025-B2 Progesterone phosphate analogs and uses related thereto EMORY UNIVERSITY (US) 2023-08-15 — — US disclosed
US-20210395294-A1 PROGESTERONE PHOSPHATE ANALOGS AND USES RELATED THERETO EMORY UNIVERSITY 2021-12-23 — — US disclosed
EP-3033350-B1 PROGESTERONE PHOSPHATE ANALOGS AND USES RELATED THERETO UNIV EMORY (US) 2021-07-28 — — EP disclosed
US-11053276-B2 Progesterone phosphate analogs and uses related thereto EMORY UNIVERSITY (US) 2021-07-06 — — US disclosed
US-20200255470-A1 PROGESTERONE PHOSPHATE ANALOGS AND USES RELATED THERETO EMORY UNIVERSITY 2020-08-13 — — US disclosed
US-20180094018-A1 Progesterone Phosphate Analogs and Uses Related Thereto EMORY UNIVERSITY 2018-04-05 — — US disclosed
US-9802978-B2 Progesterone phosphate analogs and uses related thereto EMORY UNIVERSITY (US) 2017-10-31 — — US disclosed
EP-3033350-A4 PROGESTERONE PHOSPHATE ANALOGS AND USES RELATED THERETO Emory University (US) 2017-03-15 — — EP disclosed
US-20160194351-A1 Progesterone Phosphate Analogs and Uses Related Thereto EMORY UNIVERSITY (US) 2016-07-07 — — US disclosed
EP-3033350-A1 PROGESTERONE PHOSPHATE ANALOGS AND USES RELATED THERETO Emory University (US) 2016-06-22 — — EP disclosed
EP-3033350-A1 PROGESTERONE PHOSPHATE ANALOGS AND USES RELATED THERETO Emory University (US) 2016-06-22 — — EP disclosed
WO-2015023593-A1 PROGESTERONE PHOSPHATE ANALOGS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2015-02-19 — — WO disclosed
WO-2015023593-A1 PROGESTERONE PHOSPHATE ANALOGS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2015-02-19 — — WO disclosed
WO-2008141318-A1 DEVICE FOR DETERMINING RISK OF DEVELOPING BREAST CANCER AND METHOD THEREOF DR. SUSAN LOVE RESEARCH FOUNDATION (US) 2008-11-20 — — WO disclosed
US-5300424-A Composition for preservation of diagnostic test reagents BOEHRINGER MANNHEIM GMBH (DE) 1994-04-05 — — 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 (7 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-20180094018-A1 Progesterone Phosphate Analogs and Uses Related Thereto PGR, PGRMC1, PGRMC2 ALDH1A1 2448/4885CYP3A4 653/4885SMN1; SMN2 4035/4885
US-20230357309-A1 PROGESTERONE PHOSPHATE ANALOGS AND USES RELATED THERETO PGR, SHBG, PGRMC2 ALDH1A1 1607/4885CYP3A4 580/4885SMN1; SMN2 3403/4885
US-11053276-B2 Progesterone phosphate analogs and uses related thereto PGR, PGRMC1, PGRMC2 ALDH1A1 2448/4885CYP3A4 653/4885SMN1; SMN2 4035/4885
US-20200255470-A1 PROGESTERONE PHOSPHATE ANALOGS AND USES RELATED THERETO PGR, PGRMC1, PGRMC2 ALDH1A1 2448/4885CYP3A4 653/4885SMN1; SMN2 4035/4885
US-20210395294-A1 PROGESTERONE PHOSPHATE ANALOGS AND USES RELATED THERETO PGR, PGRMC1, PGRMC2 ALDH1A1 2448/4885CYP3A4 653/4885SMN1; SMN2 4035/4885
US-11725025-B2 Progesterone phosphate analogs and uses related thereto PGR, PGRMC1, PGRMC2 ALDH1A1 2448/4885CYP3A4 653/4885SMN1; SMN2 4035/4885
US-20160194351-A1 Progesterone Phosphate Analogs and Uses Related Thereto PGR, PGRMC1, PGRMC2 ALDH1A1 2448/4885CYP3A4 653/4885SMN1; SMN2 4035/4885

“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.