SCHEMBL3413285

SCHEMBL3413285

CC(C)(C)C1=CC(=O)c2cc(C(C)(C)C)ccc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
CASP3 P42574 2/20 0.58
SENP8 Q96LD8 2/20 0.58
SENP7 Q9BQF6 2/20 0.58
SENP6 Q9GZR1 2/20 0.58
PLA2G1B P04054 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ATG4B Q9Y4P1 1/20 0.58
ATM Q13315 4/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 3/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL3420308 0.93 ALDH1A1 (0.58) ALDH1A1NPC1RAB9ACASP3SENP8
SCHEMBL31437680 0.93 ALDH1A1 (0.58) ALDH1A1NPC1RAB9ACASP3SENP8
SCHEMBL10614062 0.82 ALDH1A1 (0.58) ALDH1A1NPC1RAB9ACASP3SENP8
SCHEMBL16656174 0.82 ALDH1A1 (0.58) ALDH1A1NPC1RAB9ACASP3SENP8
SCHEMBL29926163 0.78 ALDH1A1 (0.80) ALDH1A1NPC1RAB9ACASP3SENP8
SCHEMBL22871158 0.78 ALDH1A1 (0.73) ALDH1A1NPC1RAB9ACASP3SENP8
SCHEMBL31472800 0.78 ALDH1A1 (0.73) ALDH1A1NPC1RAB9ACASP3SENP8
SCHEMBL7930867 0.78 ALDH1A1 (0.80) ALDH1A1NPC1RAB9ACASP3SENP8
SCHEMBL13433263 0.78 NPC1 (0.88) ALDH1A1NPC1RAB9ACASP3SENP8
SCHEMBL5724160 0.78 NPC1 (0.88) ALDH1A1NPC1RAB9ACASP3SENP8

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110776866-A Sealing agent for electronic component, and liquid crystal display unit 日本化药株式会社 2020-02-11 CN disclosed
EP-2968219-B1 NOVEL THERAPY FOR PROSTATE CARCINOMA PELLFICURE PHARMACEUTICALS INC (US) 2019-04-24 EP disclosed
EP-2968219-B1 NOVEL THERAPY FOR PROSTATE CARCINOMA PELLFICURE PHARMACEUTICALS INC (US) 2019-04-24 EP disclosed
US-10245240-B2 Treatment of prostate carcinoma PELLFICURE PHARMACEUTICALS, INC. (US) 2019-04-02 US disclosed
US-10245240-B2 Treatment of prostate carcinoma PELLFICURE PHARMACEUTICALS, INC. (US) 2019-04-02 US disclosed
US-20180296500-A1 NOVEL TREATMENT OF PROSTATE CARCINOMA PELLFICURE PHARMACEUTICALS, INC. 2018-10-18 US disclosed
US-20180116977-A1 NOVEL TREATMENT OF PROSTATE CARCINOMA PELLFICURE PHARMACEUTICALS, INC. 2018-05-03 US disclosed
US-20180116977-A1 NOVEL TREATMENT OF PROSTATE CARCINOMA PELLFICURE PHARMACEUTICALS, INC. 2018-05-03 US disclosed
US-9877932-B2 Treatment of prostate carcinoma PELLFICURE PHARMACEUTICALS, INC. (US) 2018-01-30 US disclosed
US-9877932-B2 Treatment of prostate carcinoma PELLFICURE PHARMACEUTICALS, INC. (US) 2018-01-30 US disclosed
WO-2014158875-A1 NOVEL THERAPY FOR PROSTATE CARCINOMA PELLFICURE PHARMACEUTICALS INC. (US) 2014-10-02 WO disclosed
US-20130219528-A1 NOVEL TREATMENT OF PROSTATE CARCINOMA PELLFICURE PHARMACEUTICALS, INC. (US) 2013-08-22 US disclosed
US-20130219528-A1 NOVEL TREATMENT OF PROSTATE CARCINOMA PELLFICURE PHARMACEUTICALS, INC. (US) 2013-08-22 US disclosed
US-20130219528-A1 NOVEL TREATMENT OF PROSTATE CARCINOMA PELLFICURE PHARMACEUTICALS, INC. (US) 2013-08-22 US disclosed
WO-2012018948-A2 NOVEL TREATMENT OF PROSTATE CARCINOMA PELLFICURE PHARMACEUTICALS, INC. (US) 2012-02-09 WO disclosed
US-20100129723-A1 NON-AQUEOUS ELECTROLYTE FOR PRIMARY BATTERY, AND NON-AQUEOUS ELECTROLYTE PRIMARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2010-05-27 US disclosed
CN-101263622-A Non-aqueous electrolyte for primary battery and non-aqueous electrolyte primary battery using the same MITSUBISHI CHEM CORP (JP) 2008-09-10 CN disclosed
EP-1933404-A1 NON-AQUEOUS ELECTROLYTE FOR PRIMARY BATTERY, AND NON-AQUEOUS ELECTROLYTE PRIMARY BATTERY USING THE SAME Mitsubishi Chemical Corporation (JP) 2008-06-18 EP disclosed
WO-2006107827-A1 SKIN BONDING PROCESS CREIGHTON UNIVERSITY (US) 2006-10-12 WO disclosed
US-4184874-A Photosensitive composition containing chelate compound FUJI PHOTO FILM CO., LTD. (JP) 1980-01-22 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 (4 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-20130219528-A1 NOVEL TREATMENT OF PROSTATE CARCINOMA KLK3, AR, PLK1 ALDH1A1 347/4885NPC1 1383/4885RAB9A 2258/4885
US-10245240-B2 Treatment of prostate carcinoma KLK3, ACP3, PLK1 ALDH1A1 320/4885NPC1 1227/4885RAB9A 2173/4885
US-20180296500-A1 NOVEL TREATMENT OF PROSTATE CARCINOMA KLK3, AR, PLK1 ALDH1A1 347/4885NPC1 1383/4885RAB9A 2258/4885
US-20180116977-A1 NOVEL TREATMENT OF PROSTATE CARCINOMA KLK3, AR, PLK1 ALDH1A1 347/4885NPC1 1383/4885RAB9A 2258/4885

“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.