SCHEMBL3901919

SCHEMBL3901919

COC(=O)c1ccc(OCc2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 8/20 0.69
RXRA P19793 3/20 0.59
RXRB P28702 3/20 0.59
RXRG P48443 3/20 0.59
HPGD P15428 2/20 0.54
LMNA P02545 2/20 0.54
SMPD1 P17405 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
RAB9A P51151 2/20 0.50
NOTUM Q6P988 1/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL3901040 0.90 MRGPRX4 (0.60) MRGPRX4RXRARXRBRXRGHPGD
SCHEMBL79430 0.88 RXRA (0.63) MRGPRX4RXRARXRBRXRGHPGD
SCHEMBL5364510 0.88 RXRA (0.60) MRGPRX4RXRARXRBRXRGHPGD
SCHEMBL20897473 0.87 MRGPRX4 (0.83) MRGPRX4RXRARXRBRXRG
SCHEMBL1437991 0.87 RXRA (0.61) MRGPRX4RXRARXRBRXRGHPGD
SCHEMBL79709 0.87 RXRA (0.72) MRGPRX4RXRARXRBRXRG
SCHEMBL4833423 0.85 L3MBTL1 (0.53) MRGPRX4RXRARXRBRXRGHPGD
SCHEMBL2950475 0.85 RXRA (0.59) MRGPRX4RXRARXRBRXRGLMNA
SCHEMBL22288724 0.84 RXRA (0.53) MRGPRX4RXRARXRBRXRGSMPD1
SCHEMBL10323581 0.84 RXRA (0.61) MRGPRX4RXRARXRBRXRGHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584726-B2 Amino alcohol derivative, pharmaceutical composition and application thereof BEIJING FORELAND PHARMA CO., LTD. (CN) 2023-02-21 US disclosed
US-20220017513-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2022-01-20 US disclosed
US-20210347745-A1 AMINO ALCOHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF BEIJING FORELAND PHARMA CO., LTD. (CN) 2021-11-11 US disclosed
EP-3647309-A1 AMINO ALCOHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Beijing Foreland Pharma Co., Ltd. (CN) 2020-05-06 EP disclosed
EP-2484669-B1 PHENOL DERIVATIVES FUJI YAKUHIN CO LTD (JP) 2015-07-29 EP disclosed
CN-102639518-B Novel Phenol Derivatives FUJI YAKUHIN CO LTD 2015-03-25 CN disclosed
US-8367843-B2 Phenol derivative FUJI YAKUHIN CO., LTD. (JP) 2013-02-05 US disclosed
CN-102639518-A Novel Phenol Derivatives FUJI YAKUHIN CO LTD 2012-08-15 CN disclosed
EP-2484669-A1 NOVEL PHENOL DERIVATIVE Fuji Yakuhin Co., Ltd. (JP) 2012-08-08 EP disclosed
US-20120184587-A1 NOVEL PHENOL DERIVATIVE FUJI YAKUHIN CO., LTD. (JP) 2012-07-19 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
US-6262123-B1 AS ANTIARRHYTHMIC AGENTS HAVING CARDIOPROTECTIVE COMPONENT, FOR PROPHYLAXIS AND TREATMENT OF INFARCTION AND ANGINA PECTORIS; FOR INHIBITION OF PATHOPHYSIOLOGICAL PROCESSES ASSOCIATED WITH GENESIS OF ISCHEMICALLY INDUCED DAMAGE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-07-17 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 (5 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-20210347745-A1 AMINO ALCOHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SSB, HLA-DRB1, LCP2 MRGPRX4 2666/4885RXRA 2215/4885RXRB 1732/4885
US-20120184587-A1 NOVEL PHENOL DERIVATIVE XDH, REN, UTS2R MRGPRX4 762/4885RXRA 313/4885RXRB 211/4885
US-11584726-B2 Amino alcohol derivative, pharmaceutical composition and application thereof SSB, HLA-DRB1, LCP2 MRGPRX4 2666/4885RXRA 2215/4885RXRB 1732/4885
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 MRGPRX4 86/4885RXRA 1301/4885RXRB 1726/4885
US-20220017513-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE S1PR1, S1PR2, S1PR3 MRGPRX4 45/4885RXRA 1152/4885RXRB 911/4885

“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.