SCHEMBL21076346

SCHEMBL21076346

CCCCOc1cccc2c1C(=O)C=C(C)C2=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.64
▸ MAPT P10636 4/20 0.64
▸ LMNA P02545 2/20 0.64
▸ APAF1 O14727 1/20 0.64
▸ MITF O75030 1/20 0.64
▸ HTT P42858 1/20 0.64
▸ CYP1A2 P05177 4/20 0.51
▸ TP53 P04637 3/20 0.51
▸ HPGD P15428 3/20 0.51
▸ TDP1 Q9NUW8 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ HSPD1 P10809 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ CDC25A P30304 2/20 0.51
▸ CDC25B P30305 2/20 0.51
▸ BLM P54132 2/20 0.51
▸ HSPE1 P61604 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51

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
SCHEMBL19425915 0.96 MAPT (0.62) ALDH1A1MAPTLMNAAPAF1MITF
SCHEMBL19409312 0.87 ALDH1A1 (0.62) ALDH1A1MAPTLMNAAPAF1MITF
SCHEMBL9629398 0.87 MAPT (0.69) ALDH1A1MAPTLMNAAPAF1MITF
SCHEMBL17594409 0.86 ALDH1A1 (0.61) ALDH1A1MAPTLMNAAPAF1MITF
SCHEMBL16076555 0.83 KCNA3 (0.62) ALDH1A1MAPTCYP1A2TDP1MEN1
SCHEMBL9017760 0.82 ELANE (0.67) CYP1A2ELANEKCNA3CYP2C9CYP2C19
SCHEMBL24194430 0.79 POLM (0.60) ALDH1A1MAPTLMNACYP1A2TP53
SCHEMBL28986871 0.79 KCNA3 (0.70) ALDH1A1MAPTLMNACYP1A2TDP1
SCHEMBL9627716 0.79 ALDH1A1 (1.00) ALDH1A1MAPTLMNAAPAF1MITF
SCHEMBL30003269 0.79 ALDH1A1 (1.00) ALDH1A1MAPTLMNAAPAF1MITF

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-10577315-B2 Compositions and methods for treatment of prostate carcinoma PELLFICURE PHARMACEUTICALS, INC. (US) 2020-03-03 — — US disclosed
US-20190169122-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA PELLFICURE PHARMACEUTICALS 2019-06-06 — — 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-20190169122-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA KLK3, ACP3, NR5A1 ALDH1A1 314/4885MAPT 2538/4885LMNA 861/4885
US-10577315-B2 Compositions and methods for treatment of prostate carcinoma KLK3, ACP3, NR5A1 ALDH1A1 314/4885MAPT 2538/4885LMNA 861/4885

“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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