SCHEMBL26964613

SCHEMBL26964613

CC(C)c1c(O)cnn1C1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 3/20 0.44
▸ CYP4A11 Q02928 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KDM5B Q9UGL1 1/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ RET P07949 6/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATR Q13535 3/20 0.34
▸ GAA P10253 1/20 0.33
▸ YTHDC1 Q96MU7 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 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
SCHEMBL21185054 0.84 CYP4F2 (0.45) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL26964763 0.83 ALDH1A1 (0.41) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL26964696 0.83 ALDH1A1 (0.43) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL25918978 0.82 ALDH1A1 (0.42) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL24702054 0.81 ALDH1A1 (0.41) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL24638319 0.78 ALDH1A1 (0.41) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL1365401 0.77 ALDH1A1 (0.46) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL5419714 0.76 RXRA (0.43) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL14903852 0.72 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL21185040 0.72 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1LMNAPOLB

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 CYP4F2 3646/4885CYP4A11 2963/4885ALDH1A1 3717/4885

“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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