SCHEMBL1458050

SCHEMBL1458050

C=CC[C@@H](C(=O)O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 1.00
CYP2D6 P10635 1/20 0.45
SRC P12931 1/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 3/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
EPHX1 P07099 1/20 0.43
CPN1 P15169 1/20 0.42
CPB2 Q96IY4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL666893 1.00 CYP2C19 (1.00) CYP2C19CYP2D6SRCPOLBLMNA
SCHEMBL1458057 1.00 CYP2C19 (1.00) CYP2C19CYP2D6SRCPOLBLMNA
SCHEMBL10959538 0.98 CYP2C19 (0.96) CYP2C19CYP2D6SRCPOLBLMNA
SCHEMBL1457969 0.98 CYP2C19 (0.96) CYP2C19CYP2D6SRCPOLBLMNA
SCHEMBL1458161 0.98 CYP2C19 (0.96) CYP2C19CYP2D6SRCPOLBLMNA
Methyl Alcohol SCHEMBL11775681 0.96 CYP2C19 (0.93) CYP2C19CYP2D6SRCPOLBLMNA
SCHEMBL5156636 0.89 CYP2C19 (0.80) CYP2C19LMNA
SCHEMBL5371218 0.88 CYP2C19 (0.79) CYP2C19CYP2D6SRCPOLBLMNA
SCHEMBL6967261 0.86 CYP2C19 (0.76) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL7469210 0.85 CYP2C19 (0.73) CYP2C19CPN1CPB2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130204238-A1 COMBINATION THERAPY FOLLICA, INC (US) 2013-08-08 US disclosed
EP-2552323-A1 COMBINATION THERAPY Follica, Inc. (US) 2013-02-06 EP disclosed
WO-2012125941-A1 LITHIUM TREATMENT FOR MICROBIAL INFECTIONS FOLLICA, INC. (US) 2012-09-20 WO disclosed
WO-2012067631-A1 BODY SURFACE TREATMENT FOLLICA, INC. (US) 2012-05-24 WO disclosed
WO-2012067630-A1 HAIR GROWTH TREATMENT FOLLICA, INC. (US) 2012-05-24 WO disclosed
WO-2012067632-A1 SEQUENTIAL BODY SURFACE TREATMENT FOLLICA, INC. (US) 2012-05-24 WO disclosed
WO-2011123218-A1 COMBINATION THERAPY FOLLICA, INC. (US) 2011-10-06 WO disclosed
US-20110130748-A1 BODY SURFACE TREATMENT FOLLICA, INC. (US) 2011-06-02 US disclosed
US-20110130706-A1 SEQUENTIAL BODY SURFACE TREATMENT FOLLICA, INC. (US) 2011-06-02 US disclosed
US-20110130711-A1 HAIR GROWTH TREATMENT FOLLICA, INC. (US) 2011-06-02 US disclosed
US-20040009930-A1 Macrolide antibiotics PFIZER INC. 2004-01-15 US disclosed
EP-1307468-A1 MACROLIDE ANTIBIOTICS Pfizer Products Inc. (US) 2003-05-07 EP disclosed
US-20020115621-A1 Macrolide antibiotics PFIZER INC. 2002-08-22 US disclosed
WO-2002012260-A1 MACROLIDE ANTIBIOTICS PFIZER PRODUCTS INC. (US) 2002-02-14 WO disclosed
US-5610164-A (Thiophen-2-yl)-piperidin or tetrahydropyridin azabicyclocarboxamides AMERICAN HOME PRODUCTS CORPORATION (US) 1997-03-11 US disclosed
CN-1142498-A (Thiophen-2-yl-)-piperidin or tetrahydropyridin azabicyclocarboxamides AMERICAN HOME PROD (US) 1997-02-12 CN disclosed
EP-0755932-A1 (Thiophen-2-yl)piperidin or tetrahydropyridin-azabicyclocarboxamides AMERICAN HOME PRODUCTS CORPORATION (US) 1997-01-29 EP disclosed
EP-0570507-A4 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORP (US) 1994-09-21 EP disclosed
EP-0570507-A1 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORPORATION (US) 1993-11-24 EP disclosed
WO-1992013552-A1 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORPORATION (US) 1992-08-20 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 (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-20040009930-A1 Macrolide antibiotics MRPL21, NOP2, NPPA CYP2C19 435/4885CYP2D6 249/4885SRC 4815/4885
US-20020115621-A1 Macrolide antibiotics MRPL21, NOP2, NPPA CYP2C19 435/4885CYP2D6 249/4885SRC 4815/4885

“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.