SCHEMBL22242841

SCHEMBL22242841

CC(C)CCc1cc(F)c(N2CCCC2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 6/20 0.38
▸ ALDH1A1 P00352 4/20 0.33
▸ HTT P42858 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ MAPT P10636 3/20 0.31
▸ HPGD P15428 2/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ TMEM97 Q5BJF2 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ DAO P14920 1/20 0.30
▸ RAD52 P43351 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL22242835 0.86 MAOA (0.40) FFAR4ALDH1A1TRPV1MAPTTSHR
SCHEMBL21593841 0.81 ALDH1A1 (0.38) FFAR4ALDH1A1HTTSMN1; SMN2TRPV1
SCHEMBL21593837 0.80 MAPT (0.47) ALDH1A1HTTSMN1; SMN2TRPV1MAPT
SCHEMBL21593842 0.78 ALDH1A1 (0.48) ALDH1A1HTTSMN1; SMN2TRPV1MAPT
SCHEMBL21444532 0.75 ALDH1A1 (0.41) FFAR4ALDH1A1HTTSMN1; SMN2TRPV1
SCHEMBL22242870 0.74 DAO (0.33) ALDH1A1HTTMAPTKCNH2TMEM97
SCHEMBL5017571 0.72 KMT2A (0.53) FFAR4ALDH1A1HTTSMN1; SMN2TRPV1
SCHEMBL16249187 0.72 ALDH1A1 (0.36) ALDH1A1HTTSMN1; SMN2MAPTHPGD
SCHEMBL22242851 0.70 CHKA (0.47) ALDH1A1MAPT
SCHEMBL9832077 0.69 RAB9A (0.46) FFAR4ALDH1A1HTTSMN1; SMN2MAPT

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
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

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 FFAR4 519/4885ALDH1A1 4214/4885HTT 1090/4885
US-20220177485-A1 CAMPTOTHECIN DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF WEE1, WASF2, WEE2 FFAR4 1759/4885ALDH1A1 699/4885HTT 4049/4885

“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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