SCHEMBL21593842

SCHEMBL21593842

CC(C)CCc1ccc(N2CCCCC2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.48
▸ MAPT P10636 5/20 0.48
▸ HPGD P15428 3/20 0.48
▸ TSHR P16473 1/20 0.48
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTT P42858 3/20 0.40
▸ GAA P10253 1/20 0.39
▸ RORC P51449 2/20 0.38
▸ MITF O75030 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ SLC6A9 P48067 1/20 0.38
▸ GRM2 Q14416 1/20 0.37
▸ TRPV1 Q8NER1 2/20 0.37

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
SCHEMBL21593837 0.98 MAPT (0.47) ALDH1A1MAPTHPGDTSHRRAB9A
SCHEMBL24490258 0.86 NPC1 (0.48) ALDH1A1HPGDTSHRRAB9ANPC1
SCHEMBL8245474 0.85 ALDH1A1 (0.50) ALDH1A1MAPTHPGDTSHRRAB9A
SCHEMBL23255558 0.84 ALDH1A3 (0.48) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL14393703 0.83 ALDH1A1 (0.56) ALDH1A1MAPTHPGDTSHRRAB9A
SCHEMBL14405807 0.81 ALDH1A1 (0.55) ALDH1A1MAPTHPGDTSHRRAB9A
SCHEMBL8430119 0.80 ALDH1A1 (0.57) ALDH1A1MAPTHPGDTSHRRAB9A
SCHEMBL21593840 0.79 THRB (0.41) ALDH1A1MAPTSMN1; SMN2
SCHEMBL22242841 0.78 FFAR4 (0.38) ALDH1A1MAPTHPGDTSHRRAB9A
SCHEMBL8373055 0.78 MAPT (0.56) ALDH1A1MAPTHPGDTSHRRAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177485-A1 CAMPTOTHECIN DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF MARINE BIOMEDICAL RESEARCH INSTITUTE OF QINGDAO CO., LTD. (CN) 2022-06-09 — — US disclosed
WO-2019238046-A1 CAMPTOTHECIN DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 青岛海洋生物医药研究院股份有限公司 2019-12-19 — — WO 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-20220177485-A1 CAMPTOTHECIN DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF WEE1, WASF2, WEE2 ALDH1A1 699/4885MAPT 1511/4885HPGD 726/4885

“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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