SCHEMBL13201253

SCHEMBL13201253

C=CC(=O)OCC(O)COCC1CC(C=C)CC1C=C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
ALDH1A1 P00352 2/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 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
SCHEMBL14285880 0.85
SCHEMBL13230696 0.75 TSHR (0.44) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL22560137 0.74 TSHR (0.36) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL347559 0.73 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1723604 0.73 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9242015 0.72 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL95157 0.72 TSHR (0.64) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL22560135 0.71 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL671634 0.71 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL19726768 0.71

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 10 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-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

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 TSHR 4131/4885ALDH1A1 638/4885TP53 4707/4885
US-20070073079-A1 Norbornene compounds with cross-linkable groups and their derivatives OXER1, SQLE, ALOX12 TSHR 4131/4885ALDH1A1 638/4885TP53 4707/4885
US-20100087659-A1 NORBORNENE COMPOUNDS WITH CROSS-LINKABLE GROUPS AND THEIR DERIVATIVES SQLE, OXER1, MACF1 TSHR 4521/4885ALDH1A1 476/4885TP53 4758/4885

“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.