SCHEMBL710703

SCHEMBL710703

Cc1cccc(C)c1-c1[c]c(-c2c(C)cccc2C)ccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 2/20 0.40
ACHE P22303 2/20 0.40
CD44 P16070 1/20 0.40
ALDH1A1 P00352 4/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CYP3A4 P08684 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TRPA1 O75762 2/20 0.35
ATM Q13315 1/20 0.35
MYC P01106 1/20 0.34
MAPT P10636 1/20 0.34
HTR7 P34969 1/20 0.33
PIK3CA P42336 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32

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
SCHEMBL1395553 0.84 CA1 (0.33) CYP2A6CYP1A2TSHRACHECD44
SCHEMBL6310961 0.82 ACHE (0.38) CYP2A6CYP1A2ACHE
SCHEMBL3223109 0.75 CYP1A2 (0.40) CYP2A6CYP1A2TSHRACHECD44
SCHEMBL4021982 0.75 ACHE (0.57) CYP2A6CYP1A2TSHRACHECD44
SCHEMBL7624698 0.74 CYP2A6 (0.43) CYP2A6CYP1A2TSHRACHECD44
SCHEMBL5153405 0.74 TSHR (0.43) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL820110 0.72 ACHE (0.33) CYP2A6CYP1A2TSHRACHECD44
SCHEMBL28898710 0.69 CD44 (0.33) CYP2A6CYP1A2TSHRACHECD44
SCHEMBL3094328 0.69 CYP2A6 (0.43) CYP2A6CYP1A2TSHRACHECD44
SCHEMBL4161420 0.67 CA1 (0.48) CYP2A6CYP1A2TSHRACHECD44

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 143 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3749674-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-12-16 EP claimed
US-20200369697-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2020-11-26 US claimed
WO-2019157376-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-08-15 WO claimed
JP-4467181-B2 2010-05-26 JP claimed
EP-1125979-B1 Polymer blends INEOS EUROPE LTD (GB) 2006-11-29 EP claimed
US-6894127-B2 Polymerization process BP CHEMICALS LIMITED (GB) 2005-05-17 US claimed
US-6828398-B2 Transition metal complex containing pyrimidine or pyrazine compound used as polymerization catalysts for alpha-olefins BP CHEMICALS LIMITED (GB) 2004-12-07 US claimed
EP-1062250-B1 POLYMERISATION CATALYSTS BP CHEM INT LTD (GB) 2004-07-14 EP claimed
US-20040063878-A1 Polymerisation process BP CHEMICALS LIMITED (GB) 2004-04-01 US claimed
US-6608140-B2 Polymer blends BP CHEMICALS LIMITED (GB) 2003-08-19 US claimed
WO-2001012684-A1 POLYMERISATION PROCESS BP CHEMICALS LIMITED (GB) 2001-02-22 WO claimed
EP-1062250-A1 POLYMERISATION CATALYSTS BP Chemicals Limited (GB) 2000-12-27 EP claimed
WO-2000069869-A1 POLYMERISATION CATALYSTS BP CHEMICALS LIMITED (GB) 2000-11-23 WO claimed
WO-2000058320-A1 PYRIDINE.IMINE POLYMERISATION CATALYSTS BP CHEMICALS LIMITED (GB) 2000-10-05 WO claimed
WO-2000047586-A1 METAL COMPLEXES USEFUL AS POLYMERIZATION CATALYST BP CHEMICALS LIMITED (GB) 2000-08-17 WO claimed
EP-1015501-A1 POLYMERISATION CATALYSTS BP Chemicals Limited (GB) 2000-07-05 EP claimed
WO-2000008034-A1 PREPARATION OF POLYMERISATION CATALYSTS BP CHEMICALS LIMITED (GB) 2000-02-17 WO claimed
EP-0953571-A1 Catalysts for olefin polymerisation BP Chemicals Limited (GB) 1999-11-03 EP claimed
WO-1999046303-A1 POLYMERISATION CATALYSTS BP CHEMICALS LIMITED (GB) 1999-09-16 WO claimed
WO-1999012981-A1 POLYMERISATION CATALYSTS BP CHEMICALS LIMITED (GB) 1999-03-18 WO claimed

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-20200369697-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MSRB3, MMAB, CYB5R3 CYP2A6 311/4885CYP1A2 137/4885TSHR 2953/4885

“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.