SCHEMBL22332286

SCHEMBL22332286

CCOCC(=O)N1CCC(C(=O)NCCC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.47
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.39
▸ CHRM1 P11229 3/20 0.39

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
SCHEMBL22332359 0.87 CYP3A4 (0.43) TSHRKMT2AALDH1A1KDM4EGAA
SCHEMBL18330407 0.87 TSHR (0.51) TSHRKMT2AALDH1A1KDM4ELMNA
SCHEMBL16591615 0.86 HSD17B10 (0.41) TSHRKMT2AALDH1A1KDM4ELMNA
SCHEMBL20381501 0.84 HSD17B10 (0.45) TSHRKMT2AALDH1A1MEN1CYP3A4
SCHEMBL16591617 0.82 ITGB3 (0.49) ALDH1A1KDM4ELMNAHSD17B10SIGMAR1
SCHEMBL18330505 0.79 ALDH1A1 (0.50) TSHRKMT2AALDH1A1HTTGAA
SCHEMBL16591606 0.79 DPP4 (0.43) TSHRKMT2AALDH1A1LMNAMEN1
SCHEMBL16591602 0.78 HSD17B10 (0.41) TSHRKMT2AALDH1A1LMNAMEN1
SCHEMBL20939066 0.77 HSD17B10 (0.46) TSHRKMT2AALDH1A1LMNAGAA
SCHEMBL20381522 0.76 HSD17B10 (0.44) TSHRKMT2AALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008334-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-18 — — US disclosed
US-20200255446-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-08-13 — — 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 (2 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-20200255446-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS TSHR 4752/4885KMT2A 1832/4885ALDH1A1 2792/4885
US-11008334-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS TSHR 4752/4885KMT2A 1832/4885ALDH1A1 2792/4885

“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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