SCHEMBL728665

SCHEMBL728665

COC(=O)Cc1cccc(C)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
P2RX7 Q99572 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NLRP3 Q96P20 2/20 0.42
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
KDM4C Q9H3R0 1/20 0.40
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40

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
SCHEMBL14420088 0.85 NLRP3 (0.47) KDM4EL3MBTL1TDP1NLRP3PTGS2
SCHEMBL30522283 0.85 CTBP2 (0.51) KDM4EL3MBTL1ALDH1A1HPGDLMNA
SCHEMBL265432 0.85 CTBP2 (0.51) KDM4EL3MBTL1ALDH1A1HPGDLMNA
SCHEMBL2981629 0.84 ALDH1A1 (0.50) KDM4EALDH1A1GLAHPGDLMNA
SCHEMBL13988592 0.84 ALDH1A1 (0.45) KDM4ENLRP3PTGS2ALDH1A1GLA
SCHEMBL3678822 0.84 NLRP3 (0.51) TDP1NLRP3ALDH1A1LMNAMAPT
Water SCHEMBL27319077 0.83 CTBP2 (0.50) KDM4EL3MBTL1ALDH1A1HPGDLMNA
SCHEMBL16112668 0.82 P2RX7 (0.45) KDM4EP2RX7L3MBTL1MAPK1NLRP3
SCHEMBL8524830 0.82 ESR1 (0.47) KDM4EALDH1A1GLAHPGDCYP4F2
SCHEMBL22898417 0.82 KDM4E (0.43) KDM4EL3MBTL1TDP1NLRP3ALDH1A1

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
CN-114539131-A Preparation method of fexofenadine hydrochloride 西安万隆制药股份有限公司 2022-05-27 CN claimed
US-20020077482-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL DOW PHARMACEUTICALS INC. 2002-06-20 US claimed
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-09-06 US claimed
JP-H08512028-A 1996-12-17 JP claimed
EP-0705245-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1996-04-10 EP claimed
WO-1995000480-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1995-01-05 WO claimed
CN-115745954-A Preparation method of bilastine intermediate 山东新时代药业有限公司 2023-03-07 CN disclosed
EP-1401816-A1 PROCESS FOR THE PRODUCTION OF THE PIPERIDINE DERIVATIVE FEXOFENADINE Aventis Pharma Deutschland GmbH (DE) 2004-03-31 EP disclosed
WO-2002102776-A1 PROCESS FOR THE PRODUCTION OF THE PIPERIDINE DERIVATIVE FEXOFENADINE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-12-27 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-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 KDM4E 3936/4885P2RX7 536/4885L3MBTL1 3787/4885
US-20020077482-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 KDM4E 3644/4885P2RX7 544/4885L3MBTL1 4117/4885

“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.