SCHEMBL13610276

SCHEMBL13610276

CC1CC(O)CCCCCCCCCC2OC2C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
POLB P06746 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
SCHEMBL9861737 0.83 TSHR (0.45) TSHRLMNACYP2C9
SCHEMBL7697461 0.82 TSHR (0.50) TSHRLMNACYP2C9GAAPKM
SCHEMBL14064071 0.81 ACHE (0.31) GAAPKMTDP1POLB
SCHEMBL18677784 0.79 ACHE (0.30) GAAPKMTDP1
SCHEMBL10697729 0.76 L3MBTL1 (0.30)
SCHEMBL21554523 0.76 TSHR (0.43) TSHRLMNACYP2C9GAAPKM
SCHEMBL13610272 0.75 TSHR (0.56) TSHRLMNA
SCHEMBL6055429 0.75 TSHR (0.47) TSHRLMNACYP2C9GAAPKM
SCHEMBL6055449 0.75 TSHR (0.47) TSHRLMNACYP2C9GAAPKM
SCHEMBL2196681 0.75 TSHR (0.47) TSHRLMNACYP2C9GAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615526-B2 Furanoid and pyranoid C14-C18- oxabicycloalkanones as odoriferous and/or aroma substances SYMRISE GMBH & CO. KG (DE) 2009-11-10 US disclosed
US-7615526-B2 Furanoid and pyranoid C14-C18- oxabicycloalkanones as odoriferous and/or aroma substances SYMRISE GMBH & CO. KG (DE) 2009-11-10 US disclosed
US-20080234174-A1 FURANOID AND PYRANOID C14-C18- OXABICYCLOALKANONES AS ODORIFEROUS AND/OR AROMA SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2008-09-25 US disclosed
US-20080234174-A1 FURANOID AND PYRANOID C14-C18- OXABICYCLOALKANONES AS ODORIFEROUS AND/OR AROMA SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2008-09-25 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 (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-20080234174-A1 FURANOID AND PYRANOID C14-C18- OXABICYCLOALKANONES AS ODORIFEROUS AND/OR AROMA SUBSTANCES CYP19A1, OXER1, AKR1C4 TSHR 3618/4885LMNA 4098/4885CYP2C9 181/4885

“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.