SCHEMBL12081994

SCHEMBL12081994

CCc1cc(CN)cc(CC(C)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ LOXL2 Q9Y4K0 5/20 0.36
▸ GPR84 Q9NQS5 2/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ NOS1 P29475 3/20 0.33
▸ NOS2 P35228 3/20 0.33
▸ NOS3 P29474 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ABAT P80404 1/20 0.32
▸ BACE1 P56817 1/20 0.31
▸ PSIP1 O75475 1/20 0.31

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
SCHEMBL12081708 0.92 SMN1; SMN2 (0.38) LOXL2GPR84SMN1; SMN2KDM4EPOLB
SCHEMBL12081769 0.89 RXRA (0.44) RXRARXRBGPR84POLBALDH1A1
SCHEMBL9853386 0.80 TAAR1 (0.42) RXRARXRBLOXL2SMN1; SMN2ALDH1A1
SCHEMBL9973082 0.80 TAAR1 (0.42) RXRARXRBLOXL2SMN1; SMN2ALDH1A1
SCHEMBL26559062 0.76 RXRA (0.55) RXRARXRBLOXL2SMN1; SMN2ALDH1A1
SCHEMBL8105331 0.76 NOS1 (0.53) LOXL2SMN1; SMN2KDM4EALDH1A1NOS1
SCHEMBL27907919 0.74 SMN1; SMN2 (0.37) LOXL2SMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL11079658 0.74 KDM4E (0.52) LOXL2SMN1; SMN2KDM4EPOLBNOS1
SCHEMBL10666038 0.74 ABAT (0.48) RXRARXRBSMN1; SMN2KDM4EPOLB
SCHEMBL27669043 0.74 LOXL2 (0.37) RXRARXRBLOXL2NOS1NOS2

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-20240016946-A1 DRUG-LOADED MACROMOLECULE AND PREPARATION METHOD THEREFOR SHANGHAI SHENGDI PHARMACEUTICAL CO., LTD. (CN) 2024-01-18 — — US disclosed
US-8420067-B2 Targeted polylysine dendrimer therapeutic agent STARPHARMA PTY LTD (AU) 2013-04-16 — — US disclosed
US-8258259-B2 Macromolecular compounds having controlled stoichiometry STARPHARMA PTY LIMITED (AU) 2012-09-04 — — US disclosed
US-20100292148-A1 TARGETED POLYLYSINE DENDRIMER THERAPEUTIC AGENT STARPHARMA PTY LTD. (AU) 2010-11-18 — — US disclosed
US-20100278750-A1 POLYLYSINE DENDRIMER CONTRAST AGENT STARPHARMA PTY LTD 2010-11-04 — — 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 (3 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-20100278750-A1 POLYLYSINE DENDRIMER CONTRAST AGENT PARG, PARN, TLR3 RXRA 4737/4885RXRB 4787/4885LOXL2 655/4885
US-20240016946-A1 DRUG-LOADED MACROMOLECULE AND PREPARATION METHOD THEREFOR MRPL38, MRPS27, MRPS18A RXRA 3547/4885RXRB 3754/4885LOXL2 1436/4885
US-20100292148-A1 TARGETED POLYLYSINE DENDRIMER THERAPEUTIC AGENT CLTA, PARG, FLT3 RXRA 4791/4885RXRB 4831/4885LOXL2 1241/4885

“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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