SCHEMBL26529540

SCHEMBL26529540

COC(=O)[C@@H]1C[C@@H](Oc2ccccc2)CN1C(=O)c1ccccc1OC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TSHR P16473 3/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.42
MMP2 P08253 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK14 Q16539 1/20 0.41
HCRTR2 O43614 3/20 0.40
HCRTR1 O43613 1/20 0.40
PDE4B Q07343 1/20 0.40
ANPEP P15144 1/20 0.40
KDM4E B2RXH2 1/20 0.39
FAAH O00519 1/20 0.39
CNR2 P34972 1/20 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
SCHEMBL26529537 0.91 HTT (0.44) ALDH1A1TSHRGAAHTTLMNA
SCHEMBL23260558 0.87 CYP2C9 (0.43) ALDH1A1TSHRGAAHTTLMNA
SCHEMBL23260559 0.84 LMNA (0.47) ALDH1A1TSHRHTTLMNACYP2C9
SCHEMBL15719248 0.83 MMP2 (0.47) MMP2ANPEP
SCHEMBL23261111 0.82 LMNA (0.45) ALDH1A1TSHRHTTLMNACYP2C9
SCHEMBL23261113 0.82 TSHR (0.50) ALDH1A1TSHRLMNA
SCHEMBL23260562 0.82 KMT2A (0.45) ALDH1A1
SCHEMBL23260564 0.81 NPSR1 (0.48) ALDH1A1HTTLMNACYP2C19HCRTR2
SCHEMBL23261110 0.80 TDP1 (0.40) ALDH1A1GAALMNAHCRTR2HCRTR1
SCHEMBL26529569 0.80 ALDH1A1 (0.49) ALDH1A1TSHRGAAHTTLMNA

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-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-10-12 US disclosed
US-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-10-12 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-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS YTHDF1, YTHDF3, YTHDF2 ALDH1A1 4553/4885TSHR 2302/4885GAA 1944/4885

“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.