SCHEMBL346833

SCHEMBL346833

O=C(O)C1CCc2cc(O)ccc2C1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.57
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
ACHE P22303 4/20 0.51
DRD3 P35462 7/20 0.49
DRD2 P14416 6/20 0.49
CYP19A1 P11511 1/20 0.46
DRD4 P21917 4/20 0.45
P2RX7 Q99572 1/20 0.41
FAAH O00519 2/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL16252317 1.00 OPRK1 (0.57) OPRK1CA1CA2ACHEDRD3
SCHEMBL345292 0.93 DRD3 (0.57) OPRK1CA1CA2ACHEDRD3
SCHEMBL345291 0.93 DRD3 (0.57) OPRK1CA1CA2ACHEDRD3
SCHEMBL9370418 0.85 DRD2 (0.46) OPRK1CA1CA2ACHEDRD3
SCHEMBL15961988 0.85 OPRK1 (0.56) OPRK1CA1CA2ACHEDRD3
SCHEMBL18983559 0.82 OPRK1 (0.49) OPRK1CA1CA2ACHEDRD3
SCHEMBL4621176 0.81 BRD4 (0.44) OPRK1FAAH
SCHEMBL21063897 0.81 FAAH (0.40) FAAH
SCHEMBL9215130 0.81 CYP1A2 (0.41) FAAH
SCHEMBL2232699 0.81 ALDH1A1 (0.56) DRD3FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0617109-B1 Liquid crystal material, liquid crystal composition and liquid crystal element MITSUI PETROCHEMICAL IND (JP) 1997-09-17 EP claimed
US-5422039-A Having a chiral center-containing a tetralinylene ring as well as a second chiral center; cells having high temperature operating range; high switching speed, low voltage and stable contrast MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-06-06 US claimed
EP-0617109-A1 Liquid crystal material, liquid crystal composition and liquid crystal element MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-09-28 EP claimed
JP-6025098-A None JP disclosed
JP-6009500-A None JP disclosed
JP-5255193-A None JP disclosed
JP-7224005-A None JP disclosed
US-10894040-B2 S1P modulating agents BIOGEN MA INC. (US) 2021-01-19 US disclosed
US-10894040-B2 S1P modulating agents BIOGEN MA INC. (US) 2021-01-19 US disclosed
EP-3660010-A1 S1P MODULATING AGENTS Biogen MA Inc. (US) 2020-06-03 EP disclosed
EP-3660010-A1 S1P MODULATING AGENTS Biogen MA Inc. (US) 2020-06-03 EP disclosed
JP-H069500-A TETRALIN COMPOUND, LIQUID CRYSTAL MATERIAL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL ELEMENT MITSUI PETROCHEM IND LTD 1994-01-18 JP disclosed
EP-0566379-A2 Tetralin compound, liquid crystal material, liquid crystal composition and liquid crystal element MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-10-20 EP disclosed
EP-0566380-A2 Carboxylic acid ester compound, liquid crystal material, liquid crystal compositions and liquid crystal element MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-10-20 EP disclosed
JP-H05255193-A CARBOXYLIC ACID ESTER COMPOUND, LIQUID CRYSTAL MATERIAL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL ELEMENT MITSUI PETROCHEM IND LTD 1993-10-05 JP disclosed
EP-0549347-A1 Novel carboxylate compounds, liquid crystal materials, liquid crystal compositions and liquid crystal elements MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-06-30 EP disclosed
EP-0465048-A2 Carboxylic acid ester compound, liquid crystal compound, liquid crystal composition, liquid crystal element and light modulation method MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-01-08 EP disclosed
US-4530919-A A 1,2,3,4-tetrahydronaphthalene carboxylic acid PFIZER INC. (US) 1985-07-23 US disclosed
US-4374148-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1983-02-15 US disclosed
US-4305955-A ORAL HYPOGLYCEMIC AGENTS, CHROMAN-4-CARBOXYLIC ACID OR THIOCHROMAN-4-CARBOXYLIC ACID PFIZER INC. (US) 1981-12-15 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 (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-10894040-B2 S1P modulating agents S1PR2, S1PR1, S1PR3 OPRK1 751/4885CA1 4115/4885CA2 2230/4885

“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.