SCHEMBL8074334

SCHEMBL8074334

CCC(CC)(CC)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 2/20 0.33
FFAR3 O14843 2/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.32
TRPA1 O75762 1/20 0.32
TSHR P16473 1/20 0.31
THPO P40225 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL27830843 0.97 ALDH1A1 (0.39) ALDH1A1TDP1LMNAFFAR3CYP4F2
Acetic Acid SCHEMBL23533473 0.88 CA1 (0.44) ALDH1A1TDP1FFAR3CES2CES1
SCHEMBL16075935 0.80 TDP1 (0.35) ALDH1A1TDP1GAATSHR
SCHEMBL12117978 0.78 ALDH1A1 (0.36) ALDH1A1TDP1
SCHEMBL14986189 0.78 CYP4F2 (0.39) ALDH1A1CYP4F2CYP4A11CES2CES1
SCHEMBL19734497 0.76 CYP4F2 (0.31) CYP4F2CYP4A11
SCHEMBL29406337 0.76 CYP4F2 (0.42) CYP4F2CYP4A11CES2CES1
SCHEMBL2709008 0.74 CES2 (0.45) CYP4F2CYP4A11CES2CES1
SCHEMBL5171452 0.74 CES2 (0.45) CYP4F2CYP4A11CES2CES1
SCHEMBL1406644 0.71 ALDH1A1 (0.41) ALDH1A1TDP1LMNAFFAR3HSD17B10

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230100971-A1 PROTEIN PRODUCT CAPABLE OF IMMOBILIZING TARGET AND BEING CLEARED AS REQUIRED SHAANXI NORMAL UNIVERSITY (CN) 2023-03-30 US disclosed
US-9273080-B2 Metal complexes MEREK PATENT GMBH (DE) 2016-03-01 US disclosed
US-9116426-B2 Dye compound, method of producing dipyrromethene metal complex compound, method of producing dye multimer, substituted pyrrole compound, colored curable composition, color filter, method of producing color filter, solid-state image sensor and liquid crystal display device FUJIFILM CORPORATION (JP) 2015-08-25 US disclosed
US-20130137018-A1 DYE COMPOUND, METHOD OF PRODUCING DIPYRROMETHENE METAL COMPLEX COMPOUND, METHOD OF PRODUCING DYE MULTIMER, SUBSTITUTED PYRROLE COMPOUND, COLORED CURABLE COMPOSITION, COLOR FILTER, METHOD OF PRODUCING COLOR FILTER, SOLID-STATE IMAGE SENSOR AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2013-05-30 US disclosed
US-20130082209-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-04-04 US disclosed
US-8114567-B2 Polyol photosensitizers, carrier gas UV laser ablation sensitizers, and other additives and methods for making and using same NDSU RESEARCH FOUNDATION (US) 2012-02-14 US disclosed
US-20090184417-A1 POLYOL PHOTOSENSITIZERS, CARRIER GAS UV LASER ABLATION SENSITIZERS, AND OTHER ADDITIVES AND METHODS FOR MAKING AND USING SAME NDSU RESEARCH FOUNDATION 2009-07-23 US disclosed
EP-1043298-A1 PROCESSES FOR THE PREPARATION OF ALCOHOLS Daicel Chemical Industries, Ltd. (JP) 2000-10-11 EP 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-20130082209-A1 METAL COMPLEXES MCOLN2, MCOLN1, AP1M1 ALDH1A1 2790/4885TDP1 2954/4885LMNA 351/4885
US-20090184417-A1 POLYOL PHOTOSENSITIZERS, CARRIER GAS UV LASER ABLATION SENSITIZERS, AND OTHER ADDITIVES AND METHODS FOR MAKING AND USING SAME OTC, ODC1, OXGR1 ALDH1A1 2050/4885TDP1 2511/4885LMNA 1264/4885

“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.