SCHEMBL287733

SCHEMBL287733

Cc1ccccc1-c1ccc(C2CCCCC2)c(C2CCCCC2)c1P

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
PTGS2 P35354 1/20 0.37
HTR2C P28335 4/20 0.35
CYP11B2 P19099 1/20 0.33
CXCR5 P32302 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
SIGMAR1 Q99720 3/20 0.32
PSMB5 P28074 1/20 0.32
PTPRC P08575 1/20 0.32
PTPRF P10586 1/20 0.32
PTPN1 P18031 1/20 0.32
CDC25B P30305 1/20 0.32
ABCB1 P08183 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL851115 0.87 HTR2C (0.34) S1PR1S1PR5PTGS2HTR2CCXCR5
SCHEMBL29613262 0.84 PTGS2 (0.43) S1PR1S1PR5PTGS2HTR2CCXCR5
SCHEMBL28000625 0.82 ABCB1 (0.42) PTGS2ABCB1HTR1AHTR7
SCHEMBL5379529 0.82 PTPN1 (0.35) PTGS2PTPRCPTPRFPTPN1CDC25B
SCHEMBL788140 0.82 CAMKK2 (0.35) PTGS2PSMB5PTPRCPTPRFPTPN1
SCHEMBL68108 0.80 PTGS2 (0.39) PTGS2PSMB5
SCHEMBL28152698 0.78 PTGS2 (0.39) PTGS2ABCB1
SCHEMBL28153847 0.77 PSMB5 (0.34) PTGS2PSMB5ABCB1
SCHEMBL28152695 0.76 ABCB1 (0.43) PTGS2ABCB1HTR1AHTR7
SCHEMBL11277724 0.76 HTR2C (0.46) PTGS2HTR2CCXCR5ABCB1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427468-B1 PREPARATION OF A METAL COMPLEX JOHNSON MATTHEY PLC (GB) 2017-06-14 EP claimed
US-8772520-B2 Preparation of a metal complex JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2014-07-08 US claimed
US-20120116109-A1 PREPARATION OF A METAL COMPLEX JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2012-05-10 US claimed
EP-2427468-A1 PREPARATION OF A METAL COMPLEX JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2012-03-14 EP claimed
WO-2010128316-A1 PREPARATION OF A METAL COMPLEX JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2010-11-11 WO claimed
US-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMCIAL DIVERSITY CENTER, INC. (US) 2024-01-18 US disclosed
EP-3643694-B1 METHOD FOR PRODUCING BUTADIENE COMPOUND DAIKIN IND LTD (JP) 2023-11-15 EP disclosed
EP-3643694-A1 METHOD FOR PRODUCING BUTADIENE COMPOUND Daikin Industries, Ltd. (JP) 2020-04-29 EP disclosed
EP-2427468-B1 PREPARATION OF A METAL COMPLEX JOHNSON MATTHEY PLC (GB) 2017-06-14 EP disclosed
US-8772520-B2 Preparation of a metal complex JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2014-07-08 US disclosed
US-20120116109-A1 PREPARATION OF A METAL COMPLEX JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2012-05-10 US disclosed
EP-2427468-A1 PREPARATION OF A METAL COMPLEX JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2012-03-14 EP disclosed
CN-102190581-A Process for preparing 4'-halogenalkyl-biphenyl-2-carboxylic acids SALTIGO GMBH 2011-09-21 CN disclosed
US-7867581-B2 Retardation film and liquid crystal display device using the same NIPPON OIL CORPORATION (JP) 2011-01-11 US disclosed
WO-2010128316-A1 PREPARATION OF A METAL COMPLEX JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2010-11-11 WO disclosed
US-20090156770-A1 Retardation film and liquid crystal display device using the same NIPPON OIL CORPORATION (JP) 2009-06-18 US disclosed
EP-2060937-A1 RETARDATION FILM, AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME Nippon Oil Corporation (JP) 2009-05-20 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-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE ERG28, CYP51A1, MANBA S1PR1 2128/4885S1PR5 3052/4885PTGS2 3458/4885
US-20120116109-A1 PREPARATION OF A METAL COMPLEX PDCD1LG2, CD274, PDCD2L S1PR1 3202/4885S1PR5 3338/4885PTGS2 3163/4885

“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.