SCHEMBL26964696

SCHEMBL26964696

CC(C)c1c(Br)cnn1C1CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KDM5B Q9UGL1 1/20 0.41
▸ RET P07949 6/20 0.40
▸ CYP4F2 P78329 2/20 0.39
▸ CYP4A11 Q02928 2/20 0.39
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP2C19 P33261 1/20 0.35
▸ FLT3 P36888 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ATR Q13535 1/20 0.34
▸ GAA P10253 1/20 0.33

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
SCHEMBL21185054 0.84 CYP4F2 (0.45) ALDH1A1POLBLMNAKDM5BRET
SCHEMBL26964613 0.83 CYP4F2 (0.44) ALDH1A1POLBLMNAKDM5BRET
SCHEMBL25918978 0.82 ALDH1A1 (0.42) ALDH1A1POLBLMNAKDM5BRET
SCHEMBL14903852 0.81 CYP4F2 (0.47) ALDH1A1POLBLMNAKDM5BRET
SCHEMBL24702054 0.81 ALDH1A1 (0.41) ALDH1A1POLBLMNAKDM5BRET
SCHEMBL26964763 0.81 ALDH1A1 (0.41) ALDH1A1POLBLMNAKDM5BRET
SCHEMBL2896462 0.79 ALDH1A1 (0.48) ALDH1A1POLBLMNAKDM5BRET
SCHEMBL31641559 0.79 ALDH1A1 (0.47) ALDH1A1POLBLMNAKDM5BRET
SCHEMBL30045758 0.78 ALDH1A1 (0.52) ALDH1A1POLBLMNARETCYP4F2
SCHEMBL1475947 0.77 ALDH1A1 (0.43) ALDH1A1POLBLMNAKDM5BRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190855-A1 CDK INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2024-06-13 — — US disclosed
EP-4291176-A1 CDK INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2023-12-20 — — EP disclosed
CN-117136052-A CDK inhibitors and methods of use thereof 传达治疗有限公司 2023-11-28 — — CN 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-20240190855-A1 CDK INHIBITORS AND METHODS OF USE THEREOF CDK3, CDK8, CDK6 ALDH1A1 3717/4885POLB 249/4885LMNA 2030/4885

“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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