SCHEMBL25139723

SCHEMBL25139723

C=C(c1n[nH]c2ccccc12)C(CCCCCC)CCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.48
▸ YTHDC1 Q96MU7 1/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ TSHR P16473 1/20 0.42
▸ CTNNB1 P35222 4/20 0.42
▸ WNT3A P56704 4/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ FLT3 P36888 3/20 0.40

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
SCHEMBL19676568 0.77 KDM4E (0.53) KDM4EYTHDC1STAT3HIF1ACTNNB1
SCHEMBL23046941 0.76 KDM4E (0.40) KDM4EYTHDC1STAT3HIF1ATSHR
SCHEMBL21939168 0.76 CTNNB1 (0.63) KDM4EYTHDC1STAT3HIF1ATSHR
SCHEMBL9300413 0.75 KDM4E (0.40) KDM4EALDH1A1
SCHEMBL23352307 0.75 KDM4E (0.39) KDM4EYTHDC1STAT3HIF1ATSHR
SCHEMBL24995661 0.74 KDM4E (0.39) KDM4EALDH1A1
SCHEMBL9229130 0.74 KDM4E (0.39) KDM4ETSHRALDH1A1
SCHEMBL17291916 0.74 CTNNB1 (0.65) KDM4EYTHDC1STAT3HIF1ATSHR
SCHEMBL9228352 0.74 KDM4E (0.39) KDM4EALDH1A1
SCHEMBL6898042 0.73 CTSV (0.39) KDM4EYTHDC1ALDH1A1

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-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. 2023-04-20 — — 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-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK2AP2 KDM4E 2512/4885YTHDC1 4311/4885STAT3 1771/4885

“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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