SCHEMBL1042297

SCHEMBL1042297

COc1ccc(CC(P)C2CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.49
▸ SLC6A4 P31645 3/20 0.47
▸ SLC6A2 P23975 2/20 0.47
▸ SLC6A3 Q01959 2/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ LDHA P00338 1/20 0.44

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
SCHEMBL16260128 0.81 SLC6A4 (0.54) EPHX2SLC6A4SLC6A2SLC6A3NPC1
Hydrochloric Acid SCHEMBL28013465 0.78 SLC6A4 (0.57) EPHX2SLC6A4SLC6A2SLC6A3NPC1
SCHEMBL1042296 0.75 SLC6A2 (0.54) EPHX2SLC6A4SLC6A2SLC6A3NPC1
SCHEMBL8039062 0.74 HTT (0.58) EPHX2SLC6A4SLC6A2SLC6A3NPC1
SCHEMBL8655892 0.72 LMNA (0.48) SMN1; SMN2HPGD
SCHEMBL6628369 0.70 LTA4H (0.54) EPHX2NPC1RAB9ASMN1; SMN2HTT
SCHEMBL25620291 0.70 SLC6A2 (0.55) EPHX2SLC6A4SLC6A2SLC6A3NPC1
SCHEMBL5561106 0.70 ALDH1A1 (0.68) EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL6818944 0.69 SLC6A2 (0.54) EPHX2SLC6A4SLC6A2SLC6A3RAB9A
SCHEMBL25890713 0.69 SLC6A2 (0.50) EPHX2SLC6A4SLC6A2SLC6A3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856738-B1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST QUIM SINTETICA S A (ES) 2025-03-19 — — EP claimed
US-11465977-B2 Process for the preparation of sphingosine-1-phosphate receptor agonist Química Sintética, S.A. (ES) 2022-10-11 — — US claimed
US-20220033365-A1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST Química Sintética, S.A. (ES) 2022-02-03 — — US claimed
EP-3856738-A1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST Química Sintética, S.A. (ES) 2021-08-04 — — EP claimed
WO-2020064818-A1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST Química Sintética, S.A. (ES) 2020-04-02 — — WO claimed
US-20080058522-A1 Process For The Preparation Of Enantiomerically Enriched Beta Amino Acid Derivatives MERCK SHARP & DOHME LLC 2008-03-06 — — US claimed
EP-1735269-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED BETA AMINO ACID DERIVATIVES Merck & Co., Inc. (US) 2006-12-27 — — EP claimed
WO-2005097733-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED BETA AMINO ACID DERIVATIVES MERCK & CO., INC. (US) 2005-10-20 — — WO claimed
EP-3856738-B1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST QUIM SINTETICA S A (ES) 2025-03-19 — — EP disclosed
US-11465977-B2 Process for the preparation of sphingosine-1-phosphate receptor agonist Química Sintética, S.A. (ES) 2022-10-11 — — US disclosed
US-20220033365-A1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST Química Sintética, S.A. (ES) 2022-02-03 — — US disclosed
EP-3856738-A1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST Química Sintética, S.A. (ES) 2021-08-04 — — EP disclosed
WO-2020064818-A1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST Química Sintética, S.A. (ES) 2020-04-02 — — WO disclosed
CN-106715396-B Optical activity alpha-trifluoromethyl-beta-aminoacid-derivatives preparation method 公益财团法人微生物化学研究会 2019-09-27 — — CN disclosed
EP-1386901-A1 Method for producing an optically active beta-amino acid Takasago International Corporation (JP) 2004-02-04 — — EP disclosed
US-6342644-B1 MULTISTAGE PROCESS OF HYDROGENATION WITH PHOSPHINE COMPLEX TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-01-29 — — US disclosed
US-20020007094-A1 Method for producing 1-menthol TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-01-17 — — US disclosed
EP-1153908-A2 Method for producing 1-menthol Takasago International Corporation (JP) 2001-11-14 — — EP disclosed
US-4268688-A OF OLEFINS MONSANTO COMPANY (US) 1981-05-19 — — US disclosed
US-4052461-A ALDEHYDES FROM OLEFINS, CARBON MONOXIDE AND HYDROGEN, RHODIUM CATALYST MONSANTO COMPANY (US) 1977-10-04 — — 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 (4 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-20080058522-A1 Process For The Preparation Of Enantiomerically Enriched Beta Amino Acid Derivatives ATIC, SLC1A5, SLC7A1 EPHX2 2256/4885SLC6A4 404/4885SLC6A2 484/4885
US-20220033365-A1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST S1PR1, S1PR4, S1PR3 EPHX2 2068/4885SLC6A4 2744/4885SLC6A2 3317/4885
US-20020007094-A1 Method for producing 1-menthol HRH4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PHOSPHO1 EPHX2 3699/4885SLC6A4 3716/4885SLC6A2 4738/4885
US-11465977-B2 Process for the preparation of sphingosine-1-phosphate receptor agonist S1PR1, S1PR4, S1PR3 EPHX2 2068/4885SLC6A4 2744/4885SLC6A2 3317/4885

“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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