SCHEMBL1270359

SCHEMBL1270359

C=C(C)C1CC(C(=C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ LMNA P02545 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALOX15 P16050 2/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ TRPA1 O75762 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ HPGD P15428 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
SCHEMBL14495737 0.85 TSHR (0.36) TSHRTP53LMNAALDH1A1MEN1
SCHEMBL9814215 0.81 LMNA (0.37) TSHRTP53LMNAALDH1A1MEN1
SCHEMBL25090761 0.81 — —
SCHEMBL19245751 0.78 — —
SCHEMBL21095874 0.78 CHRNB2 (0.36) TSHRTP53LMNAALDH1A1KDM4E
SCHEMBL513994 0.77 — —
SCHEMBL9129884 0.77 — —
SCHEMBL11103446 0.77 LMNA (0.42) TSHRTP53LMNAALDH1A1MEN1
SCHEMBL12166831 0.76 TP53 (0.38) TSHRTP53LMNA
SCHEMBL19312123 0.76 LMNA (0.34) TSHRTP53LMNAALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140148623-A1 FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES DANISCO US INC. (US) 2014-05-29 — — US disclosed
US-8450549-B2 Fuel compositions comprising isoprene derivatives DANISCO US INC. (US) 2013-05-28 — — US disclosed
EP-2448891-A1 FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES Danisco US Inc. (US) 2012-05-09 — — EP disclosed
US-20110046422-A1 FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES DANISCO US INC. 2011-02-24 — — US disclosed
WO-2010148256-A1 FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES DANISCO US INC. (US) 2010-12-23 — — WO 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 (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-20110046422-A1 FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES GGPS1, FNTA, COASY TSHR 4527/4885TP53 4305/4885LMNA 1811/4885

“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.

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