SCHEMBL13201245

SCHEMBL13201245

C=CC1CC(/C=C\C2CC(C=C)C(COCC3CO3)C2)C(CN2C(=O)c3ccccc3C2=O)C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CASP3 P42574 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL13294095 1.00 CYP1A2 (0.35) CYP1A2CYP2C9CYP2C19POLBNPSR1
SCHEMBL13201251 0.83 DHFR (0.36) ALDH1A1
SCHEMBL13294109 0.83 DHFR (0.36) ALDH1A1
SCHEMBL13201217 0.81 POLB (0.46) CYP1A2CYP2C9CYP2C19POLBNPSR1
SCHEMBL13201265 0.80 POLB (0.38) CYP1A2CYP2C9CYP2C19POLBNPSR1
SCHEMBL13201153 0.78 POLB (0.36) CYP1A2CYP2C9CYP2C19POLBNPSR1
SCHEMBL13928082 0.78 NPSR1 (0.32) CYP1A2CYP2C9CYP2C19POLBNPSR1
SCHEMBL13201246 0.76 ALDH1A1 (0.39) ALDH1A1
SCHEMBL13201239 0.75 ALDH1A1 (0.50) ALDH1A1
SCHEMBL13201220 0.74 NPSR1 (0.32) POLBNPSR1

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 CYP1A2 292/4885CYP2C9 900/4885CYP2C19 987/4885
US-20070073079-A1 Norbornene compounds with cross-linkable groups and their derivatives OXER1, SQLE, ALOX12 CYP1A2 292/4885CYP2C9 900/4885CYP2C19 987/4885
US-20100087659-A1 NORBORNENE COMPOUNDS WITH CROSS-LINKABLE GROUPS AND THEIR DERIVATIVES SQLE, OXER1, MACF1 CYP1A2 231/4885CYP2C9 790/4885CYP2C19 764/4885

“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.