SCHEMBL21658751

SCHEMBL21658751

C=CC[C@@]1(C)CN(Cc2ccccc2)CCN1Cc1ccc(OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.58
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
NR3C1 P04150 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH2 P25021 1/20 0.43

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
SCHEMBL28559026 1.00 SIGMAR1 (0.58) SIGMAR1ALDH1A1LMNANR3C1KDM4E
SCHEMBL14376971 0.81 TSHR (0.53) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL28217942 0.75 SIGMAR1 (1.00) SIGMAR1ALDH1A1LMNAKDM4EMEN1
SCHEMBL2961574 0.73 SIGMAR1 (0.50) SIGMAR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL20149768 0.73 SIGMAR1 (0.62) SIGMAR1KMT2AHRH2
SCHEMBL7016275 0.71 SIGMAR1 (0.72) SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL14377687 0.71 KDM4E (0.48) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL7570843 0.70 SIGMAR1 (0.53) SIGMAR1LMNAKDM4EMEN1KMT2A
SCHEMBL5190470 0.70 GAA (0.47) SIGMAR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL28566154 0.70 CYP2D6 (0.43) SIGMAR1ALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12486280-B2 CDK inhibitors and uses thereof CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2025-12-02 US disclosed
EP-3830082-B1 CDK INHIBITORS AND USES THEREOF CALIFORNIA INST OF TECHN (US) 2025-02-26 EP disclosed
US-20220106325-A1 CDK INHIBITORS AND USES THEREOF 1200 PHARMA LLC 2022-04-07 US disclosed
CN-112703186-A CDK inhibitors and uses thereof 加利福尼亚技术学院 2021-04-23 CN disclosed
WO-2020023917-A1 CDK INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-01-30 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-20220106325-A1 CDK INHIBITORS AND USES THEREOF CDK6, CDK4, CDK3 SIGMAR1 4719/4885ALDH1A1 3716/4885LMNA 1954/4885
US-12486280-B2 CDK inhibitors and uses thereof CDK6, CDK4, CDK3 SIGMAR1 4719/4885ALDH1A1 3716/4885LMNA 1954/4885

“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.