SCHEMBL19699720

SCHEMBL19699720

CC(C)CCC(COCc1ccccc1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
CA1 P00915 4/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
TACR1 P25103 4/20 0.45
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.40
SLC1A1 P43005 1/20 0.40
FOLH1 Q04609 1/20 0.38

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
SCHEMBL10112073 1.00 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL21239569 0.89 TSHR (0.56) TSHRCA1CA2CA7CA9
SCHEMBL22431748 0.85 TSHR (0.44) TSHRCA1CA2CA7CA9
SCHEMBL22431708 0.84 AGXT (0.41) CA1CA2CA9TACR1KMT2A
SCHEMBL19750824 0.84 TSHR (0.47) TSHRCA1CA2CA7CA9
SCHEMBL10127440 0.84 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL12444919 0.84 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL12444920 0.84 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL10112095 0.83 HTT (0.46) TSHRCA1CA2CA9KMT2A
SCHEMBL12153280 0.83 HTT (0.46) TSHRCA1CA2CA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170354636-A1 METHODS FOR INHIBITING TUMORS AND DRUG RESISTANCE SEQUOIA PHARMACEUTICALS INC (US) 2017-12-14 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-20170354636-A1 METHODS FOR INHIBITING TUMORS AND DRUG RESISTANCE HCCS, CYP2E1, CYP7A1 TSHR 3887/4885CA1 2740/4885CA2 1633/4885

“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.