SCHEMBL3117191

SCHEMBL3117191

Cc1[nH]c(C(=O)O)c(C)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GPR35 Q9HC97 2/20 0.38
PTK2 Q05397 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
MCL1 Q07820 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL510562 0.84 HCAR2 (0.42) HCAR2
SCHEMBL13330013 0.80 CYP1A2 (0.38) CYP1A2CYP3A4KDM4EHPGDCYP2C9
SCHEMBL3156800 0.78 CYP1A2 (0.54) LMNAALDH1A1CYP1A2CYP3A4KDM4E
SCHEMBL1919419 0.75 CYP1A2 (0.41) HCAR2LMNAALDH1A1CYP1A2POLB
SCHEMBL31495905 0.75 GPR35 (0.45) LMNAALDH1A1CYP1A2CYP3A4KDM4E
SCHEMBL5513393 0.74 ALDH1A1 (0.63) LMNAALDH1A1CYP1A2CYP3A4KDM4E
SCHEMBL401252 0.74 HCAR2 (0.38) HCAR2ALDH1A1CYP1A2CYP3A4GPR35
SCHEMBL3036660 0.74 CYP1A2 (0.70) LMNAALDH1A1CYP1A2MEN1KMT2A
SCHEMBL510531 0.74 KDM4E (0.49) HCAR2LMNAALDH1A1CYP3A4KDM4E
SCHEMBL30630152 0.73 ALDH1A1 (0.61) LMNAALDH1A1CYP1A2CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111699220-B Squarylium salt compound for display device 日东电工株式会社 2022-08-23 CN disclosed
US-11422403-B2 Squarylium compounds for use in display devices NITTO DENKO CORPORATION (JP) 2022-08-23 US disclosed
US-20200369889-A1 SQUARYLIUM COMPOUNDS FOR USE IN DISPLAY DEVICES NITTO DENKO CORPORATION (JP) 2020-11-26 US disclosed
EP-3717572-A2 SQUARYLIUM COMPOUNDS FOR USE IN DISPLAY DEVICES Nitto Denko Corporation (JP) 2020-10-07 EP disclosed
CN-111699220-A Squarylium salt compound for display device 日东电工株式会社 2020-09-22 CN disclosed
EP-1853586-B1 ANTIBACTERIAL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2013-07-24 EP disclosed
EP-1853586-B1 ANTIBACTERIAL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2013-07-24 EP disclosed
US-20130150366-A1 CHEMICAL COMPOUNDS ASTRAZENECA, INTELLECTUAL PROPERTY (GB) 2013-06-13 US disclosed
US-20130150366-A1 CHEMICAL COMPOUNDS ASTRAZENECA, INTELLECTUAL PROPERTY (GB) 2013-06-13 US disclosed
US-20130150366-A1 CHEMICAL COMPOUNDS ASTRAZENECA, INTELLECTUAL PROPERTY (GB) 2013-06-13 US disclosed
US-7709503-B2 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-2158199-A1 PIPERIDINE COMPOUNDS AND USES THEREOF AstraZeneca AB (SE) 2010-03-03 EP disclosed
WO-2008152418-A1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2008-12-18 WO disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 US disclosed
CN-101163693-A Antibacterial piperidine derivatives ASTRAZENECA AB (SE) 2008-04-16 CN disclosed
EP-1664025-B1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2007-09-19 EP disclosed
CN-1882568-A Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2006-12-20 CN disclosed
US-20060223801-A1 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2006-10-05 US disclosed
EP-1664025-A1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026149-A1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2005-03-24 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 (4 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-20060223801-A1 Pyrrol derivatives with antibacterial activity PEF1, PEPD, PELP1 HCAR2 4666/4885LMNA 4252/4885ALDH1A1 976/4885
US-20130150366-A1 CHEMICAL COMPOUNDS MRPL21, NISCH, CFTR HCAR2 2991/4885LMNA 3535/4885ALDH1A1 419/4885
US-11422403-B2 Squarylium compounds for use in display devices SQLE, SPR, SYMPK HCAR2 2817/4885LMNA 3411/4885ALDH1A1 972/4885
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 NISCH, PIR, QDPR HCAR2 1403/4885LMNA 2265/4885ALDH1A1 243/4885

“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.