SCHEMBL2209284

SCHEMBL2209284

CCOP(=O)(Cc1ccc(C(=O)O)cn1)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
HCAR3 P49019 10/20 0.46
P4HTM Q9NXG6 5/20 0.45
P4HA1 P13674 2/20 0.45
MIF P14174 1/20 0.45
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 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
SCHEMBL2208934 0.86 MAPK1 (0.53) MAPTP4HTMALDH1A1
SCHEMBL8670527 0.86 MEN1 (0.47) MAPTCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL30527456 0.81 MAPT (0.40) MAPTHCAR3P4HTM
SCHEMBL25306089 0.81 MAPT (0.40) MAPTHCAR3P4HTM
SCHEMBL17017353 0.78 KDM4E (0.54) MAPTALDH1A1HPGD
SCHEMBL25308493 0.78 NPC1 (0.43) HCAR3
SCHEMBL1106224 0.77 GBA1 (0.41) MAPTALDH1A1
SCHEMBL30563036 0.77 GBA1 (0.41) MAPTALDH1A1
SCHEMBL12320616 0.77 CCNT1 (0.40) MAPT
SCHEMBL17688148 0.77 CXCR1 (0.37) MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981874-B2 Phosphorus derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-07-19 US disclosed
US-7981874-B2 Phosphorus derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-07-19 US disclosed
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-10-29 US disclosed
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-10-29 US disclosed
EP-2049124-A2 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS Merck & Co., Inc. (US) 2009-04-22 EP disclosed
WO-2008010985-A2 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2008-01-24 WO disclosed
US-6465647-B1 Oxygen, sulfur and nitrogen substituted cyclohexene and cyclohexane derivatives having retinoid-like biological activity ALLERGAN, INC. 2002-10-15 US disclosed
US-6465646-B1 1-alkoxy and 1-acyloxy substituted cyclohex-1-ene compounds and sulfur and 1-alkoxycarbonyl analogs having retinoid-like biological activity ALLERGAN, INC. 2002-10-15 US disclosed
US-6177588-B1 HAVING RETINOID-LIKE, RETINOID ANTAGONIST OR RETINOID INVERSE AGONIST-LIKE BIOACTIVITY; SIDE EFFECT REDUCTION; SKIN DISORDERS; ANTIPROLIFERATIVE AND -CARCINOGENIC AGENTS; MICROBIOCIDES; VISION DEFECTS; CARDIOVASCULAR DISORDERS ALLERGAN SALES, INC. 2001-01-23 US disclosed
US-6166244-A Oxygen, sulfur and nitrogen substituted cyclohexene and cyclohexane derivatives having retinoid-like biological activity ALLERGAN SALES, INC. (US) 2000-12-26 US disclosed
WO-2000068191-A1 OXYGEN, SULFUR AND NITROGEN SUBSTITUTED CYCLOHEXENE AND CYCLOHEXANE DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 2000-11-16 WO disclosed
WO-2000068190-A2 1-ALKOXY AND 1-ACYLOXY SUBSTITUTED CYCLOHEX-1-ENE COMPOUNDS AND SULFUR AND 1-ALKOXYCARBONYL ANALOGS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 2000-11-16 WO 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-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC5, PPM1A, PTEN MAPT 1326/4885HCAR3 1109/4885P4HTM 1084/4885

“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.