SCHEMBL24429320

SCHEMBL24429320

O=C(NCCC1CCCC1)c1ccc(CCCC2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDLR P01130 1/20 0.53
CXCR4 P61073 2/20 0.52
CHRM4 P08173 1/20 0.52
ADAMTS4 O75173 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.49
HDAC6 Q9UBN7 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
MLYCD O95822 1/20 0.49
ACHE P22303 1/20 0.48
ESRRG P62508 1/20 0.48
TNF P01375 1/20 0.48
KIT P10721 1/20 0.48
DDR1 Q08345 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48

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
SCHEMBL24429262 0.91 CHRM4 (0.60) CHRM4NPC1RAB9AMLYCDACHE
SCHEMBL22919723 0.88 CXCR4 (0.61) LDLRCXCR4ADAMTS4ADAMTS5HDAC6
SCHEMBL10724023 0.88 LDLR (0.62) LDLRCXCR4HDAC6NPC1RAB9A
SCHEMBL10720889 0.85 CXCR4 (0.65) LDLRCXCR4ADAMTS4ADAMTS5HDAC6
SCHEMBL17483890 0.82 HDAC6 (0.58) LDLRCXCR4HDAC6NPC1RAB9A
SCHEMBL5242088 0.82 CXCR4 (0.51) LDLRCXCR4ADAMTS4ADAMTS5HDAC6
SCHEMBL8396478 0.81 SMN1; SMN2 (0.68) LDLRNPC1RAB9AL3MBTL1ACHE
SCHEMBL8395193 0.81 SMN1; SMN2 (0.68) LDLRNPC1RAB9AL3MBTL1ACHE
SCHEMBL16182351 0.80 HSD17B10 (0.53) NPC1RAB9ASMN1; SMN2
SCHEMBL8393679 0.79 ACHE (0.66) LDLRNPC1RAB9AL3MBTL1ACHE

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-20220153722-A1 CDK2/5 DEGRADERS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-05-19 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-20220153722-A1 CDK2/5 DEGRADERS AND USES THEREOF CDK2, CDK5, CDK5R1 LDLR 2604/4885CXCR4 2268/4885CHRM4 4632/4885

“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.