SCHEMBL4586758

SCHEMBL4586758

Cc1ccc([C@@]2(C(=O)O)C[C@@H]2C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
CCR2 P41597 1/20 0.42
NTRK3 Q16288 1/20 0.39
SRPK1 Q96SB4 1/20 0.39
MAOB P27338 4/20 0.39
MAOA P21397 2/20 0.39
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR2C P28335 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADAM17 P78536 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL14520899 1.00 HSD11B1 (0.43) HSD11B1CCR2NTRK3SRPK1MAOB
SCHEMBL4257843 1.00 HSD11B1 (0.43) HSD11B1CCR2NTRK3SRPK1MAOB
SCHEMBL11077137 0.83 MAOB (0.46) HSD11B1MAOBHTR2CLMNAHTT
SCHEMBL11079999 0.83 MAOB (0.46) HSD11B1MAOBHTR2CLMNAHTT
SCHEMBL10651717 0.83 MAOB (0.46) HSD11B1MAOBHTR2CLMNAHTT
SCHEMBL11074488 0.82 PTGS2 (0.43) HSD11B1CCR2MAOBMAOAMEN1
SCHEMBL11074486 0.82 PTGS2 (0.43) HSD11B1CCR2MAOBMAOAMEN1
SCHEMBL10532363 0.82 ALDH1A1 (0.39) MAOBALDH1A1MEN1KMT2ALMNA
SCHEMBL11078444 0.81 GRIN2B (0.40) HSD11B1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11074556 0.81 CCR2 (0.46) CCR2ALDH1A1MEN1KMT2AADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4118417-A Process for resolving cis-1-substituted phenyl-1,2-cyclopropanedicarboxylic acids AMERICAN CYANAMID COMPANY (US) 1978-10-03 US claimed
US-20080009538-A1 Methods and compositions for the treatment of urinary incontinence DOV PHARMACEUTICAL, INC. 2008-01-10 US disclosed
EP-1807071-A4 ANTIPYRETIC COMPOSITIONS AND METHODS DOV PHARMACEUTICAL INC (US) 2008-01-09 EP disclosed
EP-1807071-A2 ANTIPYRETIC COMPOSITIONS AND METHODS DOV Pharmaceutical Inc. (US) 2007-07-18 EP disclosed
US-20060100263-A1 Antipyretic compositions and methods DOV PHARMACEUTICAL, INC. 2006-05-11 US disclosed
WO-2006050520-A2 ANTIPYRETIC COMPOSITIONS AND METHODS DOV PHARMACEUTICAL, INC. (US) 2006-05-11 WO disclosed
US-4435419-A Method of treating depression using azabicyclohexanes AMERICAN CYANAMID COMPANY (US) 1984-03-06 US disclosed
US-4231935-A ANXIOLYTICS AND ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-11-04 US disclosed
US-4196120-A 1,2-BIS(HYDROCARBYLSULFONYLOXY OR HALO METHYL)CYCLOPROPYLBENZENE, OPTICAL ACITIVITY ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-04-01 US disclosed
US-4131611-A ANXIOLYTIC, ANALGESIC AMERICAN CYANAMID COMPANY (US) 1978-12-26 US disclosed
US-4118417-A Process for resolving cis-1-substituted phenyl-1,2-cyclopropanedicarboxylic acids AMERICAN CYANAMID COMPANY (US) 1978-10-03 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-20080009538-A1 Methods and compositions for the treatment of urinary incontinence BPHL, MYOF, NISCH HSD11B1 2176/4885CCR2 2013/4885NTRK3 1648/4885
US-20060100263-A1 Antipyretic compositions and methods GABRE, HTR5A, TPH2 HSD11B1 1485/4885CCR2 4078/4885NTRK3 1620/4885

“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.