SCHEMBL13201238

SCHEMBL13201238

CCC1CC(CC)C(COCC2CO2)C1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL27486767 0.75 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Propane SCHEMBL29201 0.75 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Propane SCHEMBL8349869 0.73 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Butane SCHEMBL150394 0.73 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Ethane SCHEMBL216341 0.72 TSHR (0.62) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL15245 0.72
SCHEMBL4623846 0.72
SCHEMBL2933671 0.72
SCHEMBL8384588 0.72 INPP5A (0.32)
SCHEMBL2933673 0.72

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 SMN1; SMN2 828/4885ALDH1A1 638/4885TDP1 4147/4885
US-20070073079-A1 Norbornene compounds with cross-linkable groups and their derivatives OXER1, SQLE, ALOX12 SMN1; SMN2 828/4885ALDH1A1 638/4885TDP1 4147/4885
US-20100087659-A1 NORBORNENE COMPOUNDS WITH CROSS-LINKABLE GROUPS AND THEIR DERIVATIVES SQLE, OXER1, MACF1 SMN1; SMN2 1155/4885ALDH1A1 476/4885TDP1 3918/4885

“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.