SCHEMBL6789277

SCHEMBL6789277

CC(=O)C(=Cc1ccc(F)cc1F)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
HIF1A Q16665 1/20 0.44
ALDH1A1 P00352 2/20 0.43
DHODH Q02127 1/20 0.42
KCNA5 P22460 1/20 0.41
KDM4E B2RXH2 3/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
STAT1 P42224 1/20 0.40
LMNA P02545 3/20 0.40
HCAR2 Q8TDS4 1/20 0.40
MAPT P10636 4/20 0.39
POLB P06746 2/20 0.39
NR1H4 Q96RI1 1/20 0.39
PLA2G2A P14555 1/20 0.38
MGLL Q99685 1/20 0.38
MEN1 O00255 3/20 0.38

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
SCHEMBL6196558 0.88 DHODH (0.41) CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL21827872 0.88 ALDH1A1 (0.41) CYP1A2CYP2C9CYP2C19CYP3A4HIF1A
SCHEMBL21827873 0.88 ALDH1A1 (0.41) CYP1A2CYP2C9CYP2C19CYP3A4HIF1A
SCHEMBL6196563 0.88 DHODH (0.41) CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL7239135 0.80 MAPT (0.46) CYP1A2CYP2C9CYP2C19CYP3A4HIF1A
SCHEMBL7239139 0.80 MAPT (0.46) CYP1A2CYP2C9CYP2C19CYP3A4HIF1A
SCHEMBL6787162 0.79 NR1H4 (0.48) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL7374470 0.73 MAPT (0.60) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL7374472 0.73 MAPT (0.60) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL31412006 0.73 ALDH1A1 (0.56) CYP1A2CYP2C19CYP3A4ALDH1A1KDM4E

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
US-6727257-B1 HYPOTENSIVE AGENTS FOR INTRAOCULAR PRESSURE; ANTICHOLESTEROL AGENTS; RELAXING URINARY TRACT TISSUE; BENIGN PROSTATIC HYPERPLASIA, IMPOTENCY, AND CARDIOVASCULAR DISORDERS; ANTIARRHYTHMIA AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 US disclosed
US-20020010186-A1 Dihydropyrimidines and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-01-24 US disclosed
US-6268369-B1 ALPHA SUB 1 INHIBITORS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-07-31 US disclosed
US-6245773-B1 BENIGN PROSTATIC HYPERPLAMIA; REDUCTION OF INTRAOCULAR PRESSURE SYNAPTIC PHARMACEUTICAL CORPORATION 2001-06-12 US disclosed
WO-1996014846-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-05-23 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-20020010186-A1 Dihydropyrimidines and uses thereof QDPR, DPYD, ADRA1D CYP1A2 176/4885CYP2C9 310/4885CYP2C19 164/4885

“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.