SCHEMBL52041

SCHEMBL52041

C=CC(=C)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALOX15 P16050 1/20 0.42
CYP3A4 P08684 1/20 0.42
ATM Q13315 1/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
LMNA P02545 3/20 0.40
CYP2A6 P11509 1/20 0.40
SRD5A2 P31213 1/20 0.38
GSK3B P49841 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL7094841 0.78 CES2 (0.48) CES2CES1TSHRMAPK1L3MBTL1
SCHEMBL3853933 0.77 CES2 (0.46) CES2CES1TSHRMAPK1L3MBTL1
SCHEMBL11295640 0.77 ALDH5A1 (0.56) TSHRMAPK1ALOX15CYP3A4CA1
SCHEMBL1073763 0.75 ALDH1A1 (0.44) CES2CES1ATMLMNASRD5A2
SCHEMBL8236745 0.75 MASP2 (0.42) TSHRMAPK1ALOX15CYP3A4MAOA
SCHEMBL22903637 0.75 CES2 (0.44) CES2CES1MAPK1ALOX15CA1
SCHEMBL8966417 0.75 ALDH1A1 (0.55) TSHRHPGDKDM4EALDH1A1MAPT
SCHEMBL18689504 0.75 CES2 (0.44) CES2CES1MAOAMAOBCA1
SCHEMBL24370020 0.74 CES2 (0.35) CES2CES1TSHRMAPK1L3MBTL1
SCHEMBL108144 0.74 AKT1 (0.54) CES2CES1TSHRMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3680260-B1 POLYMER, COATING COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT EMITTING ELEMENT USING SAME LG CHEMICAL LTD (KR) 2022-04-06 EP disclosed
EP-3680260-A1 POLYMER, COATING COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT EMITTING ELEMENT USING SAME LG CHEM, LTD. (KR) 2020-07-15 EP disclosed
EP-2053095-B2 Ink composition and inkjet recording method using the same FUJIFILM CORP (JP) 2017-02-22 EP disclosed
EP-2053095-B1 Ink composition and inkjet recording method using the same FUJIFILM CORP (JP) 2014-03-26 EP disclosed
US-8129447-B2 Ink composition and inkjet recording method using the same FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
EP-2053095-A2 Ink composition and inkjet recording method using the same Fujifilm Corporation (JP) 2009-04-29 EP disclosed
US-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
EP-1743886-A1 Method of inhibiting neurotrophin-receptor binding QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-01-17 EP disclosed
US-3988144-A SULFOLANE OR SULFOLENE TIN SUBSTITUTED THE PROCTER & GAMBLE COMPANY (US) 1976-10-26 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 (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-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME RB1, IK, NOX1 CES2 2348/4885CES1 4279/4885TSHR 4507/4885

“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.