SCHEMBL24437233

SCHEMBL24437233

CN(C)c1ccc(C(=O)NC2CCc3cc(/C=C/C(=O)NOC4CCCCO4)ccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
P2RX3 P56373 1/20 0.37
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL28655361 1.00 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2NPC1HPGD
SCHEMBL22500068 1.00 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2NPC1HPGD
SCHEMBL28666605 0.91 P2RX3 (0.37) ALDH1A1KDM4ESMN1; SMN2HPGDKMT2A
SCHEMBL22500045 0.91 P2RX3 (0.37) ALDH1A1KDM4ESMN1; SMN2HPGDKMT2A
SCHEMBL22501104 0.89 MEN1 (0.41) ALDH1A1KDM4ESMN1; SMN2NPC1HPGD
SCHEMBL28676990 0.89 MEN1 (0.41) ALDH1A1KDM4ESMN1; SMN2NPC1HPGD
SCHEMBL28659778 0.85 SMN1; SMN2 (0.40) ALDH1A1KDM4ESMN1; SMN2HPGDP2RX3
SCHEMBL28659780 0.85 SMN1; SMN2 (0.40) ALDH1A1KDM4ESMN1; SMN2HPGDP2RX3
SCHEMBL22517027 0.85 HDAC1 (0.36) SMN1; SMN2KMT2AP2RX3TAS1R3TAS1R1
SCHEMBL22500205 0.83 HDAC1 (0.53) ALDH1A1KDM4EKMT2ATAS1R3TAS1R1

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
CN-113660932-B Phenyl derivatives having pendant alkyl and alkenyl extensions and pharmaceutical compositions comprising the same 景凯生物科技股份有限公司 2024-07-12 CN disclosed
US-20220153687-A1 PERIPHERAL ALKYL AND ALKENYL CHAINS EXTENDED BENZENE DERIVATIVES AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2022-05-19 US disclosed
CN-113660932-A Phenyl derivatives with pendant alkyl and alkenyl extensions and pharmaceutical compositions comprising the same 景凯生物科技股份有限公司 2021-11-16 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-20220153687-A1 PERIPHERAL ALKYL AND ALKENYL CHAINS EXTENDED BENZENE DERIVATIVES AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME AADAC, ENPP2, ATXN10 ALDH1A1 1691/4885KDM4E 361/4885SMN1; SMN2 564/4885

“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.