SCHEMBL3438176

SCHEMBL3438176

O=C1CCCC(c2cccs2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
GAA P10253 3/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 3/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.37
MAP1LC3B Q9GZQ8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HCAR2 Q8TDS4 1/20 0.37
PKM P14618 1/20 0.37
ESR2 Q92731 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
AKT1 P31749 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL25048712 0.89 MAPT (0.50) MAPTGAAPOLBLMNAALDH1A1
SCHEMBL3438533 0.80 MAPT (0.50) MAPTGAAPOLBLMNAALDH1A1
SCHEMBL8133890 0.79
SCHEMBL498606 0.79 MAPT (0.47) MAPTGAAPOLBLMNAALDH1A1
SCHEMBL1781122 0.78 MAPT (0.57) MAPTGAAPOLBLMNAALDH1A1
SCHEMBL663162 0.77 MAPT (0.46) MAPTGAAPOLBLMNAALDH1A1
SCHEMBL930295 0.77 MAPT (0.46) MAPTGAAPOLBLMNAALDH1A1
SCHEMBL7122480 0.75 MAPT (0.44) MAPTGAAPOLBLMNAALDH1A1
SCHEMBL497608 0.74
Formic Acid SCHEMBL27498736 0.73 POLB (0.47) MAPTGAAPOLBLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110117270-B Preparation method of 3- (thiophene-2-yl) cyclohexanone framework compound 山西大学 2021-07-27 CN claimed
CN-110117270-B Preparation method of 3- (thiophene-2-yl) cyclohexanone framework compound 山西大学 2021-07-27 CN disclosed
CN-110117270-B Preparation method of 3- (thiophene-2-yl) cyclohexanone framework compound 山西大学 2021-07-27 CN disclosed
CN-110117270-B Preparation method of 3- (thiophene-2-yl) cyclohexanone framework compound 山西大学 2021-07-27 CN disclosed
US-7807856-B2 Process for production of 2-Benzylphenol compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-10-05 US disclosed
US-20080194882-A1 Process For Production of 2-Benzylphenol Compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2008-08-14 US disclosed
EP-1810957-A1 METHOD FOR PRODUCING 2-BENZYLPHENOL COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2007-07-25 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 (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-20080194882-A1 Process For Production of 2-Benzylphenol Compound CYP1B1, CYP4B1, CYP1A1 MAPT 4506/4885GAA 3701/4885POLB 2816/4885

“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.