SCHEMBL22122430

SCHEMBL22122430

CC(=O)OCCCn1cc(C2=CCOCC2)c2ccc(Br)cc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ SCN9A Q15858 1/20 0.41
▸ PRPS1 P60891 2/20 0.37
▸ CNR1 P21554 4/20 0.37
▸ CNR2 P34972 4/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.35
▸ GSK3B P49841 8/20 0.35
▸ CCNB2 O95067 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCNB3 Q8WWL7 1/20 0.35
▸ QPCT Q16769 6/20 0.33
▸ HTR1D P28221 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
SCHEMBL22152005 0.71 ALDH1A1 (0.46) ALDH1A1PRPS1CNR1CNR2RXFP1
SCHEMBL22152483 0.69 ALDH1A1 (0.44) ALDH1A1PRPS1CNR1CNR2RXFP1
SCHEMBL22128215 0.67 HTR6 (0.47) SCN9A
SCHEMBL25378031 0.64 ALDH1A1 (0.54) ALDH1A1CNR2RXFP1
SCHEMBL1710413 0.64 ALDH1A1 (0.49) ALDH1A1CNR2RXFP1
SCHEMBL27151182 0.63 ALDH1A1 (0.56) ALDH1A1CNR2RXFP1
SCHEMBL3464542 0.61 DYRK1A (0.40) ALDH1A1PRPS1CNR1CNR2GSK3B
SCHEMBL13131411 0.61 HTR6 (0.40) ALDH1A1PRPS1CNR1CNR2GSK3B
SCHEMBL8162860 0.61 CCNT1 (0.53) GSK3B
SCHEMBL1050732 0.60 REN (0.42) ALDH1A1PRPS1CNR1CNR2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240139185-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2024-05-02 — — US disclosed
EP-3897644-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2021-10-27 — — EP disclosed
CN-113498342-A Compounds involved in synergistic binding and uses thereof 锐新医药公司 2021-10-12 — — CN disclosed
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 — — US disclosed
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 — — US disclosed
WO-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 — — WO 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-20240139185-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS ALDH1A1 4539/4885SCN9A 4611/4885PRPS1 1991/4885
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS ALDH1A1 4539/4885SCN9A 4611/4885PRPS1 1991/4885

“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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