SCHEMBL13201217

SCHEMBL13201217

C=CC1CC(C=C)C(CN2C(=O)c3ccccc3C2=O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
CASP3 P42574 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
CYP2C19 P33261 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
MMP2 P08253 2/20 0.39
MMP3 P08254 2/20 0.39
MMP9 P14780 2/20 0.39
MMP13 P45452 2/20 0.39
MMP1 P03956 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL13201265 0.86 POLB (0.38) POLBCASP3NPSR1CYP2C19CYP1A2
SCHEMBL13201153 0.84 POLB (0.36) POLBCASP3NPSR1CYP2C19CYP1A2
SCHEMBL13201245 0.81 CYP1A2 (0.35) POLBCASP3NPSR1CYP2C19CYP1A2
SCHEMBL13294095 0.81 CYP1A2 (0.35) POLBCASP3NPSR1CYP2C19CYP1A2
SCHEMBL21744319 0.77 CYP1A2 (0.45) CASP3CYP2C19CYP1A2CYP2C9MMP2
SCHEMBL4743617 0.76 CYP1A2 (0.53) NPSR1CYP2C19CYP1A2CYP2C9MMP2
SCHEMBL14159952 0.72 L3MBTL1 (0.38) CYP2C19CYP1A2CYP2C9ALDH1A1TP53
SCHEMBL27415448 0.72 CYP1A2 (0.49) NPSR1CYP2C19CYP1A2CYP2C9MMP2
SCHEMBL5050954 0.69 CA12 (0.49) NPSR1CYP2C19CYP1A2CYP2C9MMP2
SCHEMBL30096658 0.69 CA12 (0.49) NPSR1CYP2C19CYP1A2CYP2C9MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772341-B2 Norbornene compounds with cross-linkable groups and their derivatives NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2010-08-10 US disclosed
US-7728090-B2 Norbornene compounds with cross-linkable groups and their derivatives NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2010-06-01 US disclosed
US-20100087659-A1 NORBORNENE COMPOUNDS WITH CROSS-LINKABLE GROUPS AND THEIR DERIVATIVES LIAW DER-JANG 2010-04-08 US disclosed
US-7323518-B2 Norbornene compounds with cross-linkable groups and their derivatives NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2008-01-29 US disclosed
US-7309751-B2 Norbornene compounds with cross-linkable groups and their derivatives NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2007-12-18 US disclosed
US-7271223-B2 Norbomene compounds with cross-linkable groups and their derivatives NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2007-09-18 US disclosed
US-7271230-B2 Norbornene compounds with cross-linkable groups and their derivatives NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2007-09-18 US disclosed
US-20070073018-A1 Norbornene compounds with cross-linkable groups and their derivatives LIAW DER-JANG 2007-03-29 US disclosed
US-20070073079-A1 Norbornene compounds with cross-linkable groups and their derivatives LIAW DER-JANG 2007-03-29 US disclosed
US-20070073080-A1 Norbornene compounds with cross-linkable groups and their derivatives LIAW DER-JANG 2007-03-29 US disclosed
US-20070073017-A1 Norbornene compounds with cross-linkable groups and their derivatives LIAW DER-JANG 2007-03-29 US disclosed
US-20070066774-A1 Norbornene compounds with cross-linkable groups and their derivatives LIAW DER-JANG 2007-03-22 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 (3 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-20070073080-A1 Norbornene compounds with cross-linkable groups and their derivatives OXER1, SQLE, ALOX12 POLB 2246/4885CASP3 762/4885NPSR1 2394/4885
US-20070073079-A1 Norbornene compounds with cross-linkable groups and their derivatives OXER1, SQLE, ALOX12 POLB 2246/4885CASP3 762/4885NPSR1 2394/4885
US-20100087659-A1 NORBORNENE COMPOUNDS WITH CROSS-LINKABLE GROUPS AND THEIR DERIVATIVES SQLE, OXER1, MACF1 POLB 2396/4885CASP3 987/4885NPSR1 2920/4885

“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.