Sugi Predict

Sugi Predict / Compounds / SCHEMBL1332731

SCHEMBL1332731

SCHEMBL1332731

C[C@]12CC[C@@H]3c4ccc(O)cc4[C@H](O)C[C@H]3[C@@H]1CC[C@@H]2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 7/20 1.00
▸ LMNA P02545 5/20 1.00
▸ MAPK1 P28482 3/20 1.00
▸ SMN1; SMN2 Q16637 2/20 1.00
▸ CYP19A1 P11511 9/20 0.80
▸ ESR2 Q92731 4/20 0.70
▸ HSD17B10 Q99714 3/20 0.66
▸ TSHR P16473 2/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ MAPT P10636 2/20 0.66
▸ SHBG P04278 2/20 0.66
▸ CYP1A2 P05177 1/20 0.66
▸ CYP2C9 P11712 1/20 0.66
▸ CYP2C19 P33261 1/20 0.66
▸ HIF1A Q16665 1/20 0.66
▸ SLC22A1 O15245 1/20 0.66
▸ AKR1B10 O60218 1/20 0.66
▸ SLC22A3 O75751 1/20 0.66
▸ ABCB11 O95342 1/20 0.66

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
SCHEMBL6064527 1.00 ESR1 (1.00) ESR1LMNAMAPK1SMN1; SMN2CYP19A1
SCHEMBL1271528 1.00 ESR1 (1.00) ESR1LMNAMAPK1SMN1; SMN2CYP19A1
SCHEMBL1271527 1.00 ESR1 (1.00) ESR1LMNAMAPK1SMN1; SMN2CYP19A1
SCHEMBL13270171 1.00 ESR1 (1.00) ESR1LMNAMAPK1SMN1; SMN2CYP19A1
SCHEMBL11471886 0.89 CYP19A1 (1.00) ESR1LMNAMAPK1SMN1; SMN2CYP19A1
SCHEMBL19217088 0.89 CYP19A1 (1.00) ESR1LMNAMAPK1SMN1; SMN2CYP19A1
SCHEMBL22925460 0.89 CYP19A1 (1.00) ESR1LMNAMAPK1SMN1; SMN2CYP19A1
SCHEMBL12696811 0.89 CYP19A1 (1.00) ESR1LMNAMAPK1SMN1; SMN2CYP19A1
SCHEMBL9051414 0.88 ESR1 (0.78) ESR1LMNAMAPK1SMN1; SMN2CYP19A1
SCHEMBL9052367 0.88 ESR1 (0.78) ESR1LMNAMAPK1SMN1; SMN2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117789993-B Establishment and application of gastric cancer prediction model based on tongue fur metabolite 浙江省肿瘤医院 2024-06-11 — — CN claimed
US-20100312137-A1 Ovulation Cycle Monitoring and Management GILMOUR ROBERT 2010-12-09 — — US claimed
EP-1952162-A2 OVULATION CYCLE MONITORING AND MANAGEMENT MANAWATU BIOTECH INVESTMENTS LTD. (MBIL) (NZ) 2008-08-06 — — EP claimed
WO-2007049157-A2 OVULATION CYCLE MONITORING AND MANAGEMENT MANAWATU BIOTECH INVESTMENTS LTD. (MBIL) (US) 2007-05-03 — — WO claimed
CN-117789993-B Establishment and application of gastric cancer prediction model based on tongue fur metabolite 浙江省肿瘤医院 2024-06-11 — — CN disclosed
CN-117789993-A Establishment and application of gastric cancer prediction model based on tongue fur metabolite 浙江省肿瘤医院 2024-03-29 — — CN disclosed
US-20190351019-A1 STEROID ADMINISTRATION AND IMMUNOTHERAPY INTREXON CORPORATION (US) 2019-11-21 — — US disclosed
EP-3548047-A1 STEROID ADMINISTRATION AND IMMUNOTHERAPY Intrexon Corporation (US) 2019-10-09 — — EP disclosed
US-10370654-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2019-08-06 — — US disclosed
US-20180320170-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2018-11-08 — — US disclosed
WO-2018102606-A1 STEROID ADMINISTRATION AND IMMUNOTHERAPY INTREXON CORPORATION (US) 2018-06-07 — — WO disclosed
US-9944925-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. 2018-04-17 — — US disclosed
US-20160186168-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2016-06-30 — — US disclosed
WO-2015161078-A1 METHODS FOR COMPREHENSIVE PROFILING OF STEROID METABOLOME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-10-22 — — WO disclosed
WO-2013130789-A1 ESTROGEN-PURINE ADDUCTS AS DIAGNOSTIC MARKERS OF CANCER THE REGENT OF THE UNIVERSITY OF CALIFORNIA (US) 2013-09-06 — — WO disclosed
US-20110282587-A1 COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY EMORY UNIVERSITY (US) 2011-11-17 — — US disclosed
US-20100312137-A1 Ovulation Cycle Monitoring and Management GILMOUR ROBERT 2010-12-09 — — US disclosed
US-20080293683-A1 Hormone Replacement Therapy UNIVERSITY OF KANSAS MEDICAL CENTER (US) 2008-11-27 — — US disclosed
EP-1952162-A2 OVULATION CYCLE MONITORING AND MANAGEMENT MANAWATU BIOTECH INVESTMENTS LTD. (MBIL) (NZ) 2008-08-06 — — EP disclosed
WO-2007049157-A2 OVULATION CYCLE MONITORING AND MANAGEMENT MANAWATU BIOTECH INVESTMENTS LTD. (MBIL) (US) 2007-05-03 — — 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-20080293683-A1 Hormone Replacement Therapy ESR2, SHBG, ESRRG ESR1 4/4885LMNA 4487/4885MAPK1 3498/4885

“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.