SCHEMBL4214722

SCHEMBL4214722

Cc1cccc2c1C(C(=O)O)c1ccccc1O2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.55
TP53 P04637 2/20 0.55
ATM Q13315 1/20 0.51
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
USP2 O75604 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48

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
SCHEMBL14249311 0.86 ATM (0.68) HTTTP53ATMLMNASMN1; SMN2
SCHEMBL10579059 0.85 HTT (0.52) HTTTP53ATMLMNASMN1; SMN2
Potassium Ion SCHEMBL10978488 0.85 HTT (0.52) HTTTP53ATMLMNASMN1; SMN2
SCHEMBL27621790 0.81 ATM (0.51) HTTTP53ATMLMNASMN1; SMN2
SCHEMBL4298019 0.81 ATM (0.56) HTTTP53ATMLMNASMN1; SMN2
SCHEMBL8817282 0.81 HTT (0.55) HTTTP53ATMLMNASMN1; SMN2
Xanthene Carboxylic Acid SCHEMBL30011680 0.81 ATM (0.68) HTTTP53ATMLMNASMN1; SMN2
Xanthene Carboxylic Acid SCHEMBL40617 0.81 ATM (0.68) HTTTP53ATMLMNASMN1; SMN2
SCHEMBL5753228 0.81 TSHR (0.51) HTTTP53ATMLMNASMN1; SMN2
SCHEMBL5753223 0.81 TSHR (0.51) HTTTP53ATMLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090155185-A1 MEDICAMENTS FOR INHALATION COMPRISING AN ANTICHOLINERGIC AND A BETAMIMETIC MEADE CHRISTOPHER JOHN MONTAGUE 2009-06-18 US disclosed
US-20050025718-A1 Medicaments for inhalation comprising an anticholinergic and a betamimetic BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-03 US disclosed
US-6696462-B2 CYCLOPROPYLTROPINE CARBOXYLATE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-02-24 US disclosed
US-20030207912-A1 Anticholinergics, processes for the preparation thereof, and pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH. CO. KG (DE) 2003-11-06 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 (3 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-20090155185-A1 MEDICAMENTS FOR INHALATION COMPRISING AN ANTICHOLINERGIC AND A BETAMIMETIC ADRB2, CHRM3, ADRB1 HTT 4455/4885TP53 3804/4885ATM 3747/4885
US-20030207912-A1 Anticholinergics, processes for the preparation thereof, and pharmaceutical compositions CHRM1, CHRNA1, CHRNB1 HTT 1057/4885TP53 4812/4885ATM 4488/4885
US-20050025718-A1 Medicaments for inhalation comprising an anticholinergic and a betamimetic ADRB2, CHRM3, ADRB1 HTT 4455/4885TP53 3804/4885ATM 3747/4885

“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.