SCHEMBL3257641

SCHEMBL3257641

CCC1(CC(=O)O)OCCO1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.33
FFAR3 O14843 1/20 0.33
HSD11B1 P28845 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL3256641 0.86 KMT2A (0.32) TSHRL3MBTL1ALDH1A1
SCHEMBL743722 0.85 HSD11B1 (0.38) TSHRCYP1A2HSD11B1L3MBTL1ALDH1A1
SCHEMBL3254927 0.83 FFAR3 (0.32) TSHRCYP1A2FFAR3HSD11B1L3MBTL1
SCHEMBL720430 0.80 KDM4E (0.33)
SCHEMBL22292115 0.79 HSD11B1 (0.34) TSHRCYP1A2HSD11B1ALDH1A1BLM
SCHEMBL16946084 0.78 TSHR (0.31) TSHRALDH1A1
SCHEMBL13124944 0.78 AKR1B1 (0.39) TSHRALDH1A1ALOX15SLC22A6
SCHEMBL12254218 0.77 TSHR (0.42) TSHRCYP1A2HSD11B1ALDH1A1BLM
SCHEMBL7272014 0.77 TSHR (0.33) TSHRHSD11B1ALDH1A1CYP2C19
SCHEMBL16946087 0.77 HTT (0.32) TSHRCYP1A2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3389733-A1 COMPOSITIONS, DELIVERY SYSTEMS AND REFILLS FOR EMITTING TWO OR MORE COMPOSITIONS S.C. Johnson & Son, Inc. (US) 2018-10-24 EP disclosed
WO-2017105725-A1 COMPOSITIONS, DELIVERY SYSTEMS AND REFILLS FOR EMITTING TWO OR MORE COMPOSITIONS S. C. JOHNSON & SON, INC. (US) 2017-06-22 WO disclosed
US-9371275-B2 5-aminolevulinic acid prodrugs for use in photodynamic therapy and photodynamic diagnosis SWEDISH PHARMA AB (SE) 2016-06-21 US disclosed
EP-1870409-B1 BENZIMIDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-05-12 EP disclosed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US disclosed
EP-1870409-A1 BENZIMIDAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-12-26 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-20090203911-A1 BENZIMIDAZOLE COMPOUND HRH2, HRH4, HRH1 TSHR 791/4885CYP1A2 3448/4885FFAR3 93/4885

“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.