Sugi Predict

Sugi Predict / Compounds / SCHEMBL2778652

SCHEMBL2778652

SCHEMBL2778652

O[C@H]1CC[C@H](c2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.64
▸ SLC18A3 Q16572 11/20 0.54
▸ SIGMAR1 Q99720 2/20 0.54
▸ CYP2D6 P10635 2/20 0.53
▸ TSHR P16473 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.52
▸ APEX1 P27695 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ AKR1C3 P42330 1/20 0.50
▸ AKR1C1 Q04828 1/20 0.50

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
SCHEMBL557667 1.00 ESR2 (0.64) ESR2SLC18A3SIGMAR1CYP2D6TSHR
SCHEMBL6583115 1.00 ESR2 (0.64) ESR2SLC18A3SIGMAR1CYP2D6TSHR
SCHEMBL8727992 0.93 ESR2 (0.57) ESR2SLC18A3SIGMAR1CYP2D6TSHR
SCHEMBL8727996 0.93 ESR2 (0.57) ESR2SLC18A3SIGMAR1CYP2D6TSHR
Hydrogen Peroxide SCHEMBL2353767 0.89 SLC18A3 (0.64) SLC18A3SIGMAR1CYP2D6TSHRSMN1; SMN2
SCHEMBL7265967 0.87 NPC1 (0.65) ESR2SLC18A3SIGMAR1CYP2D6TSHR
SCHEMBL41763 0.87 — —
SCHEMBL190417 0.87 SLC18A3 (0.67) SLC18A3SIGMAR1CYP2D6SMN1; SMN2AKR1C3
SCHEMBL17730101 0.86 AKR1C3 (0.57) ESR2SLC18A3SIGMAR1CYP2D6TSHR
SCHEMBL6404297 0.86 ESR2 (0.57) ESR2SLC18A3SIGMAR1CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260109724-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2026-04-23 — — US disclosed
US-20260070884-A1 Inhibitors of Dihydroceramide Desaturase for Treating Disease CENTAURUS THERAPEUTICS (US) 2026-03-12 — — US disclosed
EP-4667477-A2 PRODRUGS OF PHOSPHONAMIDE NUCLEOTIDE ANALOGUES AND THEIR PHARMACEUTICAL USE Gilead Sciences, Inc. (US) 2025-12-24 — — EP disclosed
US-12448377-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-10-21 — — US disclosed
EP-4192474-B1 PRODRUGS OF PHOSPHONAMIDE NUCLEOTIDE ANALOGUES AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES INC (US) 2025-09-10 — — EP disclosed
EP-4066893-B1 6,7,8,9-TETRAHYDRO-4H-QUINOLIZIN-4-ONE COMPOUND AS OREXIN TYPE 2 RECEPTOR AGONIST TAKEDA PHARMACEUTICALS CO (JP) 2025-07-30 — — EP disclosed
US-12247019-B2 Inhibitors of dihydroceramide desaturase for treating disease CENTAURUS THERAPEUTICS (US) 2025-03-11 — — US disclosed
CN-115175735-B Antiviral compounds 吉利德科学公司 2025-03-04 — — CN disclosed
US-12110305-B2 Prodrugs of phosphonamide nucleotide analogues and their pharmaceutical use GILEAD SCIENCES, INC. (US) 2024-10-08 — — US disclosed
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2024-08-15 — — US disclosed
WO-2012109108-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2012-08-16 — — WO disclosed
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 — — US disclosed
US-5709911-A Polymerizable compound and liquid crystal display device using the same SHARP KABUSHIKI KAISHA (JP) 1998-01-20 — — US disclosed
US-5202055-A Liquid crystals CHISSO CORPORATION (JP) 1993-04-13 — — US disclosed
EP-0360080-B1 AN ALKENYL ETHER COMPOUND AND A COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1993-03-03 — — EP disclosed
EP-0360080-A1 An alkenyl ether compound and a composition containing the same CHISSO CORPORATION (JP) 1990-03-28 — — EP disclosed
EP-0030761-B1 ANISOTROPIC CYCLOHEXYL ETHERS MERCK PATENT GmbH (DE) 1984-03-21 — — EP disclosed
US-4361494-A Anisotropic cyclohexyl cyclohexylmethyl ethers BBC BROWN, BOVERI, & COMPANY, LIMITED (CH) 1982-11-30 — — US disclosed
EP-0030761-A1 Anisotropic cyclohexyl ethers MERCK PATENT GmbH (DE) 1981-06-24 — — EP disclosed
US-4130502-A Liquid crystalline cyclohexane derivatives MERCK PATENT GESELLSCHAFT MIT (DE) 1978-12-19 — — 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-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs S1PR1, S1PR3, S1PR4 ESR2 1507/4885SLC18A3 3169/4885SIGMAR1 220/4885
US-12448377-B2 Heterocyclic compound HCRTR2, HCRTR1, NTSR2 ESR2 983/4885SLC18A3 496/4885SIGMAR1 256/4885
US-20260109724-A1 ANTIVIRAL COMPOUNDS IRF3, IFNAR1, HAVCR2 ESR2 2101/4885SLC18A3 4127/4885SIGMAR1 98/4885
US-20260070884-A1 Inhibitors of Dihydroceramide Desaturase for Treating Disease CERS2, DEGS1, CERT1 ESR2 3055/4885SLC18A3 2364/4885SIGMAR1 800/4885
US-12247019-B2 Inhibitors of dihydroceramide desaturase for treating disease CERS2, SMPD1, ASAH1 ESR2 2611/4885SLC18A3 1845/4885SIGMAR1 3780/4885
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS ITGB6, ITGA1, ITGB1 ESR2 3604/4885SLC18A3 1055/4885SIGMAR1 515/4885
US-12110305-B2 Prodrugs of phosphonamide nucleotide analogues and their pharmaceutical use PNP, TYMP, NME2 ESR2 3150/4885SLC18A3 1693/4885SIGMAR1 2703/4885

“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.