SCHEMBL11501663

SCHEMBL11501663

CCCCOC1C=CCC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
GBA1 P04062 1/20 0.34
TSHR P16473 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 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
SCHEMBL8522325 0.94 GBA1 (0.41) GBA1TSHRUSP2ALDH1A1ALOX15
SCHEMBL10304159 0.89 SMN1; SMN2 (0.32) SMN1; SMN2GBA1
SCHEMBL11328512 0.88
SCHEMBL6560470 0.83 GBA1 (0.39) GBA1ALDH1A1TDP1
SCHEMBL11324571 0.82 GBA1 (0.42) GBA1ALDH1A1TDP1
SCHEMBL16254144 0.81
SCHEMBL17472537 0.79
SCHEMBL10169614 0.76 CYP1A2 (0.31)
SCHEMBL17616826 0.75
SCHEMBL17900056 0.74 SMN1; SMN2 (0.31) SMN1; SMN2GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066773-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK BLUEPRINT MEDICINES CORPORATION 2017-03-09 US disclosed
US-4156097-A Preparation of 2-cyclopentenyl ethers UNION CARBIDE CORPORATION (US) 1979-05-22 US disclosed
US-4134924-A CONTACTING 2-CYCLOPENTENYL CARBOXYLATE OR ALCOHOL WITH LOW PH AQUEOUS ACID SOLUTION UNION CARBIDE CORPORATION (US) 1979-01-16 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-20170066773-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK NTRK2, NTRK3, NTRK1 SMN1; SMN2 5/4885GBA1 1485/4885TSHR 3049/4885

“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.