SCHEMBL25535141

SCHEMBL25535141

CC(C)(C)c1c(F)cccc1CO

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
VNN1 O95497 1/20 0.34
P2RX7 Q99572 1/20 0.34
TAAR1 Q96RJ0 3/20 0.33
CYP2D6 P10635 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
PDK2 Q15119 1/20 0.33
KLF10 Q13118 1/20 0.32
KCNN4 O15554 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR84 Q9NQS5 1/20 0.32

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
SCHEMBL21718913 0.82 GABRA1 (0.46) RIPK1GABRA1GABRB2P2RX7TAAR1
SCHEMBL25696031 0.82 TAAR1 (0.34) RIPK1GABRA1GABRB2P2RX7TAAR1
SCHEMBL488739 0.82 PDK2 (0.41) PDCD1CD274P2RX7TAAR1CYP2D6
SCHEMBL17414710 0.80 TAAR1 (0.37) PDCD1CD274GABRA1GABRB2TAAR1
SCHEMBL79047 0.78 ACHE (0.39) GABRA1GABRB2PDK2
SCHEMBL24702055 0.78 CA2 (0.46) PDCD1CD274GABRA1GABRB2APOBEC3G
SCHEMBL11534473 0.78 PDCD1 (0.41) PDCD1CD274GABRA1GABRB2TAAR1
SCHEMBL10715136 0.78 GABRA1 (0.41) PDCD1CD274GABRA1GABRB2CYP2D6
SCHEMBL25696053 0.77 TAAR1 (0.43) RIPK1TAAR1MEN1KMT2A
SCHEMBL18764066 0.77 ALDH1A1 (0.34)

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-20230159529-A1 AROMATIC COMPOUND AND APPLICATION THEREOF IN ANTITUMOR DRUG SHANGHAI ZHEYE BIOTECHNOLOGY CO., LTD. (CN) 2023-05-25 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-20230159529-A1 AROMATIC COMPOUND AND APPLICATION THEREOF IN ANTITUMOR DRUG TYR, APC, TP53 RIPK1 1284/4885PDCD1 156/4885CD274 2023/4885

“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.