SCHEMBL25524702

SCHEMBL25524702

CC(=O)/C=C/c1ccc(CC(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
POLB P06746 1/20 0.60
KMT2A Q03164 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
GLA P06280 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TRPV1 Q8NER1 1/20 0.49
CHRM1 P11229 1/20 0.47
PDE4A P27815 1/20 0.47
PTGS1 P23219 4/20 0.47
PTGS2 P35354 3/20 0.47
LMNA P02545 2/20 0.47
CYP2C9 P11712 2/20 0.47
AKR1C3 P42330 2/20 0.47
CXCR1 P25024 2/20 0.47
CXCR2 P25025 2/20 0.47

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
SCHEMBL764948 0.86 KDM4E (0.61) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7825300 0.86 KDM4E (0.61) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL25516475 0.84 NPC1 (0.62) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL4355522 0.84 NPC1 (0.67) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL4355525 0.84 NPC1 (0.67) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL19737658 0.83 NPC1 (0.69) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL25146586 0.81 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL12086479 0.81 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL25146563 0.81 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL13967570 0.81 CA12 (0.60) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1

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-20230159569-A1 DUAL HDAC6/PROTEASOME INHIBITORS, AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-05-25 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-20230159569-A1 DUAL HDAC6/PROTEASOME INHIBITORS, AND METHODS OF USE THEREOF HDAC6, PSMG3, PSMB2 NPC1 1397/4885RAB9A 2211/4885SMN1; SMN2 991/4885

“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.