SCHEMBL17035688

SCHEMBL17035688

CC(=O)CCC1=CCC2CC1C2(C)C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KCNH2 Q12809 1/20 0.49
MAPK1 P28482 2/20 0.48
CXCR3 P49682 14/20 0.45
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL17035690 1.00 TSHR (0.50) TSHRKDM4EHTTTDP1KCNH2
SCHEMBL584857 0.88 TSHR (0.50) TSHRKDM4EHTTTDP1KCNH2
Acetic Acid SCHEMBL30496778 0.82 TSHR (0.46) TSHRKDM4EHTTTDP1KCNH2
SCHEMBL9516253 0.82 TSHR (0.48) TSHRKDM4EHTTTDP1KCNH2
SCHEMBL9845018 0.82 TSHR (0.48) TSHRKDM4EHTTTDP1KCNH2
SCHEMBL1552204 0.82 TSHR (0.48) TSHRKDM4EHTTTDP1KCNH2
SCHEMBL31033436 0.81 KCNH2 (0.50) TSHRKDM4EHTTTDP1KCNH2
SCHEMBL4933865 0.81 KCNH2 (0.55) TSHRKDM4EHTTTDP1KCNH2
SCHEMBL17627703 0.81 KCNH2 (0.55) TSHRKDM4EHTTTDP1KCNH2
SCHEMBL1866120 0.81 KCNH2 (0.55) TSHRKDM4EHTTTDP1KCNH2

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-9408407-B2 Compounds, compositions, and methods for reducing or eliminating bitter taste CHROMOCELL CORPORATION (US) 2016-08-09 US disclosed
US-9408407-B2 Compounds, compositions, and methods for reducing or eliminating bitter taste CHROMOCELL CORPORATION (US) 2016-08-09 US disclosed
US-20150237900-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR REDUCING OR ELIMINATING BITTER TASTE CHROMOCELL CORP (US) 2015-08-27 US disclosed
US-20150237900-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR REDUCING OR ELIMINATING BITTER TASTE CHROMOCELL CORP (US) 2015-08-27 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-20150237900-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR REDUCING OR ELIMINATING BITTER TASTE TAS2R5, TAS2R20, TAS2R10 TSHR 2181/4885KDM4E 2256/4885HTT 381/4885

“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.