SCHEMBL13180741

SCHEMBL13180741

Cc1cc(Cl)cc(CCO)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.38
▸ RAPGEF4 Q8WZA2 3/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ NR3C1 P04150 2/20 0.33
▸ NR3C2 P08235 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ PGK1 P00558 1/20 0.33
▸ PGK2 P07205 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ CYP4F2 P78329 1/20 0.32
▸ CYP4A11 Q02928 1/20 0.32
▸ NR1D1 P20393 1/20 0.31
▸ IDO1 P14902 2/20 0.31
▸ PDE4B Q07343 1/20 0.31

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
SCHEMBL7429249 0.84 TDP1 (0.42) CNR1TDP1KDM4EALDH1A1ALOX5
SCHEMBL2249765 0.84 TSHR (0.44) CNR1TDP1KDM4EALDH1A1ALOX5
SCHEMBL6418650 0.84 PGK1 (0.44) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL10418174 0.82 ACHE (0.39) CNR1RAPGEF4ALDH1A1NR3C1NR3C2
SCHEMBL16956780 0.80 FFAR4 (0.39) CNR1RAPGEF4KDM4EALDH1A1GAA
SCHEMBL27502281 0.78 RAPGEF4 (0.35) CNR1RAPGEF4TDP1NR3C1NR3C2
SCHEMBL16953618 0.77 HPGD (0.48) NR3C1NR3C2PGR
SCHEMBL12834744 0.76 FFAR1 (0.49) —
SCHEMBL10752951 0.76 ALDH1A1 (0.46) CNR1KDM4EALDH1A1MAPTCA2
SCHEMBL13150551 0.75 GABRA1 (0.38) CNR1TDP1KDM4EALDH1A1ALOX5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118094-B1 GAMMA-LACTAMS FOR THE TREATMENT OF GLAUCOMA OR ELEVATED INTRAOCULAR PRESSURE ALLERGAN INC (US) 2013-04-17 — — EP disclosed
US-8362054-B2 Therapeutic substituted lactams ALLERGAN, INC. (US) 2013-01-29 — — US disclosed
US-7803797-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2010-09-28 — — US disclosed
US-20100168189-A1 THERAPEUTIC SUBSTITUTED LACTAMS ALLERGAN, INC. 2010-07-01 — — US disclosed
US-20090270385-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-10-29 — — 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 (2 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-20090270385-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS GBA1, GNAO1, UGT2B7 CNR1 292/4885RAPGEF4 1505/4885TDP1 966/4885
US-20100168189-A1 THERAPEUTIC SUBSTITUTED LACTAMS PIGO, GARS1, CLPP CNR1 3222/4885RAPGEF4 3172/4885TDP1 3539/4885

“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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