SCHEMBL344552

SCHEMBL344552

COC(=O)C1CCc2cc(O)ccc2C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
ACHE P22303 5/20 0.53
OPRK1 P41145 1/20 0.51
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
DRD4 P21917 2/20 0.44
FAAH O00519 7/20 0.44
SOD1 P00441 1/20 0.43
CYP26A1 O43174 1/20 0.42
CYP19A1 P11511 1/20 0.42

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
SCHEMBL346094 0.94 CA1 (0.53) CA1CA2ACHEOPRK1DRD2
SCHEMBL2464708 0.87 KMT2A (0.48) CA1CA2ACHEOPRK1DRD2
SCHEMBL24214577 0.87 FAAH (0.43) CA1CA2ACHEFAAH
SCHEMBL5889332 0.85 FAAH (0.44) CA1CA2ACHEFAAH
SCHEMBL9218363 0.85 FAAH (0.44) CA1CA2ACHEFAAH
SCHEMBL629772 0.84 OPRK1 (0.48) CA1CA2ACHEOPRK1DRD2
SCHEMBL15431081 0.84 FAAH (0.43) CA1CA2ACHEFAAH
SCHEMBL17443397 0.84 HTR1D (0.48) CA1CA2ACHEFAAH
SCHEMBL8066286 0.84 CA1 (0.59) CA1CA2ACHEDRD2DRD3
SCHEMBL8076218 0.84 CA1 (0.59) CA1CA2ACHEDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20200038385-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. 2020-02-06 US disclosed
US-20200038385-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. 2020-02-06 US disclosed
EP-3150590-B1 S1P MODULATING AGENTS BIOGEN MA INC (US) 2019-10-16 EP disclosed
EP-3150590-B1 S1P MODULATING AGENTS BIOGEN MA INC (US) 2019-10-16 EP disclosed
US-10406144-B2 SIP modulating agents BIOGEN MA INC. (US) 2019-09-10 US disclosed
US-20180369215-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. 2018-12-27 US disclosed
EP-2672823-A1 S1P MODULATING AGENTS Biogen Idec MA Inc. (US) 2013-12-18 EP disclosed
EP-2670245-A1 ALPHA-KETOHETEROCYCLES AND METHODS OF MAKING AND USING The Scripps Research Institute (US) 2013-12-11 EP disclosed
WO-2012109108-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2012-08-16 WO disclosed
WO-2012109108-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2012-08-16 WO disclosed
WO-2012106569-A1 ALPHA-KETOHETEROCYCLES AND METHODS OF MAKING AND USING BOGER DALE L (US) 2012-08-09 WO disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 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 (5 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-20200038385-A1 S1P MODULATING AGENTS S1PR2, S1PR1, S1PR3 CA1 4113/4885CA2 3671/4885ACHE 4567/4885
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 CA1 400/4885CA2 413/4885ACHE 3602/4885
US-10406144-B2 SIP modulating agents S1PR2, S1PR1, S1PR3 CA1 2076/4885CA2 1935/4885ACHE 4487/4885
US-10894040-B2 S1P modulating agents S1PR2, S1PR1, S1PR3 CA1 4115/4885CA2 2230/4885ACHE 4328/4885
US-20180369215-A1 S1P MODULATING AGENTS S1PR2, S1PR1, S1PR3 CA1 4113/4885CA2 3671/4885ACHE 4567/4885

“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.