SCHEMBL6371012

SCHEMBL6371012

O=CCCc1ccccc1OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.67
DRD2 P14416 4/20 0.67
ABCB1 P08183 7/20 0.56
MGLL Q99685 1/20 0.54
PTGER1 P34995 1/20 0.54
PTGER4 P35408 1/20 0.54
PTGER3 P43115 1/20 0.54
PTGER2 P43116 1/20 0.54
GAA P10253 1/20 0.53
CCNB2 O95067 1/20 0.51
CDK1 P06493 1/20 0.51
CDK4 P11802 1/20 0.51
CCNB1 P14635 1/20 0.51
CCND1 P24385 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.48
FOLH1 Q04609 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL15453217 0.90 HTR1A (0.63) HTR1ADRD2ABCB1MGLLPTGER1
SCHEMBL8506779 0.88 HTR1A (0.51) HTR1ADRD2ABCB1MGLLPTGER1
SCHEMBL18002776 0.84 PTPN1 (0.51) HTR1ADRD2ABCB1MGLLPTGER1
SCHEMBL27344145 0.83 HTR1A (0.67) HTR1ADRD2ABCB1MGLLPTGER1
SCHEMBL872421 0.83 HTR1A (0.61) HTR1ADRD2ABCB1MGLLPTGER1
SCHEMBL5547648 0.81 HTR1A (0.63) HTR1ADRD2ABCB1MGLLPTGER1
SCHEMBL17197391 0.80 HTR1A (0.79) HTR1ADRD2ABCB1MGLLPTGER1
SCHEMBL4183309 0.80 HTR1A (1.00) HTR1ADRD2ABCB1PTGER1PTGER4
SCHEMBL9695947 0.79 CCNB2 (0.58) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL910556 0.79 L3MBTL1 (0.56) GAAMAPTMAPK1TDP1L3MBTL1

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
US-20140039171-A1 NOVEL MACROLIDE INTERMEDIATE AND NOVEL PRODUCTION PROCESS MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-02-06 US disclosed
EP-2682399-A1 NOVEL MACROLIDE INTERMEDIATE AND NOVEL PRODUCTION PROCESS Meiji Seika Pharma Co., Ltd. (JP) 2014-01-08 EP disclosed
CN-103391944-A Novel macrolide intermediate and novel production process MEIJI SEIKA PHARMA CO LTD 2013-11-13 CN disclosed
US-20050209446-A1 Novel 15-membered cyclic azalide, novel 16-membered cyclic diazalide derivative, and process for producing these MEIJI SEIKA KAISHA LTD. (JP) 2005-09-22 US disclosed
CN-1639181-A Novel 15-membered cyclic azalide, novel 16-membered cyclic diazalide derivative, and process for producing these MEIJI SEIKA KAISHA (JP) 2005-07-13 CN disclosed
EP-1479687-A1 NOVEL 15-MEMBERED CYCLIC AZALIDE, NOVEL 16-MEMBERED CYCLIC DIAZALIDE DERIVATIVE, AND PROCESS FOR PRODUCING THESE MEIJI SEIKA KAISHA LTD. (JP) 2004-11-24 EP disclosed
EP-0844000-A1 Use of alpha, omega-diarylalkane derivatives in the treatment and prevention of psychosis SANKYO COMPANY LIMITED (JP) 1998-05-27 EP disclosed
US-5556864-A TREATMENT OF CIRCULATORY DISEASES AND PSYCHOSIS SANKYO COMPANY, LIMITED (JP) 1996-09-17 US disclosed
EP-0600717-A1 Phenoxyalkylamines, -pyrrolidines and -piperidines for the treatment and prevention of circulatory diseases and psychosis SANKYO COMPANY LIMITED (JP) 1994-06-08 EP 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-20140039171-A1 NOVEL MACROLIDE INTERMEDIATE AND NOVEL PRODUCTION PROCESS MRPL21, PIGS, CYP51A1 HTR1A 2224/4885DRD2 2428/4885ABCB1 978/4885
US-20050209446-A1 Novel 15-membered cyclic azalide, novel 16-membered cyclic diazalide derivative, and process for producing these PRMT9, DHRS9, MRPL9 HTR1A 4086/4885DRD2 37/4885ABCB1 3601/4885

“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.