SCHEMBL7822328

SCHEMBL7822328

Cc1cccc(C2(C(=O)O)CCCC2)c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.69
AKR1C1 Q04828 1/20 0.65
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 1/20 0.44
CCR2 P41597 1/20 0.43
POLB P06746 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTT P42858 1/20 0.43
P2RX7 Q99572 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42

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
SCHEMBL8110741 0.97 HDAC4 (0.65) HDAC4AKR1C1KMT2AMEN1CYP2C19
SCHEMBL1561226 0.93 HDAC4 (0.59) HDAC4AKR1C1KMT2AMEN1CYP2C19
SCHEMBL9911073 0.85 HDAC4 (0.52) HDAC4AKR1C1KMT2AMEN1CYP2C19
SCHEMBL27907597 0.84 HDAC4 (0.67) HDAC4AKR1C1KMT2AMEN1CYP2C19
SCHEMBL28173850 0.83 HDAC4 (0.66) HDAC4AKR1C1KMT2AMEN1CYP2C19
SCHEMBL17147282 0.82 HDAC4 (0.68) HDAC4AKR1C1KMT2AMEN1CYP2C19
SCHEMBL16132811 0.82 HDAC4 (1.00) HDAC4KMT2AMEN1CYP2C19CYP1A2
SCHEMBL18742753 0.81 HDAC4 (0.63) HDAC4AKR1C1KMT2AMEN1CYP2C19
SCHEMBL8110588 0.81 HDAC4 (0.63) HDAC4AKR1C1KMT2AMEN1CYP2C19
SCHEMBL29622095 0.81 HDAC4 (0.71) HDAC4AKR1C1KMT2AMEN1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2826778-B1 Azaindole derivatives as CFTR modulators VERTEX PHARMA (US) 2017-09-20 EP disclosed
US-9334249-B2 Inhibitors of cytomegalovirus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 US disclosed
US-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-08 US disclosed
EP-1532122-B1 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK SHARP & DOHME (US) 2011-12-14 EP disclosed
US-7179802-B2 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2007-02-20 US disclosed
US-7179802-B2 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2007-02-20 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS CDKN1A, CCNA1, IFNAR1 HDAC4 255/4885AKR1C1 2538/4885KMT2A 617/4885

“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.