SCHEMBL21593837

SCHEMBL21593837

CC(C)CCc1ccc(N2CCCC2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.47
▸ ALDH1A1 P00352 7/20 0.46
▸ HPGD P15428 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HTT P42858 3/20 0.39
▸ MITF O75030 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ RORC P51449 2/20 0.39
▸ KCNQ2 O43526 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SLC6A9 P48067 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
SCHEMBL21593842 0.98 ALDH1A1 (0.48) MAPTALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL24490258 0.87 NPC1 (0.48) ALDH1A1HPGDTSHRSMN1; SMN2RAB9A
SCHEMBL8245474 0.83 ALDH1A1 (0.50) MAPTALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL14405807 0.83 ALDH1A1 (0.55) MAPTALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL23255558 0.82 ALDH1A3 (0.48) MAPTALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL14393703 0.81 ALDH1A1 (0.56) MAPTALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL21593840 0.80 THRB (0.41) MAPTALDH1A1SMN1; SMN2
SCHEMBL22242841 0.80 FFAR4 (0.38) MAPTALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL8373055 0.79 MAPT (0.56) MAPTALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL8430119 0.78 ALDH1A1 (0.57) MAPTALDH1A1HPGDTSHRSMN1; SMN2

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
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
US-20200231596-A1 MATTER OF COMPOSITION, SYNTHESIS, FORMULATION AND APPLICATION OF FL118 PLATFORM POSITIONS 7 AND 9-DERIVED ANALOGUES FOR TREATMENT OF HUMAN DISEASE CANGET BIOTEKPHARMA 2020-07-23 — — 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 (2 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-20200231596-A1 MATTER OF COMPOSITION, SYNTHESIS, FORMULATION AND APPLICATION OF FL118 PLATFORM POSITIONS 7 AND 9-DERIVED ANALOGUES FOR TREATMENT OF HUMAN DISEASE TP53, BRCA1, MET MAPT 1334/4885ALDH1A1 4214/4885HPGD 4390/4885
US-20220177485-A1 CAMPTOTHECIN DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF WEE1, WASF2, WEE2 MAPT 1511/4885ALDH1A1 699/4885HPGD 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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