SCHEMBL24490258

SCHEMBL24490258

CC(C)CCc1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.48
▸ HPGD P15428 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ RAB9A P51151 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MAOB P27338 2/20 0.41
▸ MAOA P21397 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ CALML3 P27482 1/20 0.41
▸ SDHA P31040 1/20 0.41
▸ PDE3B Q13370 4/20 0.40
▸ PDE3A Q14432 4/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL24490057 0.88 NPC1 (0.48) NPC1HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL21593837 0.87 MAPT (0.47) NPC1HPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL21593842 0.86 ALDH1A1 (0.48) NPC1HPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL8252614 0.86 NPC1 (0.50) NPC1HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL14405808 0.84 NPC1 (0.58) NPC1HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL11551486 0.83 ALDH1A1 (0.49) NPC1ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL26028564 0.81 HPGD (0.46) NPC1HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL22242835 0.81 MAOA (0.40) NPC1ALDH1A1TSHRMAOAPDE3B
SCHEMBL7812585 0.81 NPC1 (0.57) NPC1HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL14741125 0.78 NPC1 (0.58) NPC1HPGDALDH1A1SMN1; SMN2LMNA

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-20220177485-A1 CAMPTOTHECIN DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF MARINE BIOMEDICAL RESEARCH INSTITUTE OF QINGDAO CO., LTD. (CN) 2022-06-09 — — 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-20220177485-A1 CAMPTOTHECIN DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF WEE1, WASF2, WEE2 NPC1 1470/4885HPGD 726/4885ALDH1A1 699/4885

“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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