SCHEMBL27100641

SCHEMBL27100641

C[C@@H]1CC[C@H](C(=O)OCc2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HTR2C P28335 1/20 0.46
FABP7 O15540 1/20 0.46
FABP5 Q01469 1/20 0.46
CPB1 P15086 1/20 0.45
CYP2C19 P33261 1/20 0.45
F2 P00734 2/20 0.45
FKBP1A P62942 1/20 0.44

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
SCHEMBL16216073 1.00 TSHR (0.52) TSHRALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL13634275 1.00 TSHR (0.52) TSHRALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL10292295 1.00 TSHR (0.52) TSHRALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL25635384 0.91 TSHR (0.56) TSHRALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL25635382 0.91 TSHR (0.56) TSHRALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL25635383 0.91 TSHR (0.56) TSHRALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL14953736 0.91 TSHR (0.55) TSHRALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL12035537 0.89 ALDH1A1 (0.53) TSHRALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL11939907 0.89 ALDH1A1 (0.53) TSHRALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL18717597 0.89 ALDH1A1 (0.53) TSHRALDH1A1GAAHPGDSMN1; SMN2

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-11912727-B2 Arginase inhibitors and methods of use thereof ASTRAZENECA AB (SE) 2024-02-27 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-11912727-B2 Arginase inhibitors and methods of use thereof ARG1, ARG2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TSHR 760/4885ALDH1A1 298/4885GAA 2764/4885

“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.