SCHEMBL4079459

SCHEMBL4079459

CC[CH]CCOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NAAA Q02083 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LTA4H P09960 1/20 0.39
IDO1 P14902 1/20 0.39
TP53 P04637 1/20 0.38
AGXT P21549 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37

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
SCHEMBL1414217 0.87 L3MBTL1 (0.49) TSHRTDP1L3MBTL1NAAAALDH1A1
SCHEMBL15869130 0.83 TSHR (0.50) TSHRTDP1L3MBTL1NAAAALDH1A1
SCHEMBL16878886 0.83 TSHR (0.50) TSHRTDP1L3MBTL1NAAAALDH1A1
SCHEMBL16878885 0.83 TSHR (0.50) TSHRTDP1L3MBTL1NAAAALDH1A1
SCHEMBL1923696 0.82 TSHR (0.54) TSHRTDP1L3MBTL1NAAAALDH1A1
SCHEMBL27811388 0.81 TSHR (0.48) TSHRTDP1L3MBTL1NAAAALDH1A1
SCHEMBL27646015 0.81 TSHR (0.52) TSHRNAAAHTTSMN1; SMN2CA1
SCHEMBL4055858 0.80 TSHR (0.56) TSHRTDP1L3MBTL1NAAAALDH1A1
SCHEMBL1867995 0.80 TSHR (0.56) TSHRTDP1L3MBTL1NAAAALDH1A1
SCHEMBL4079622 0.80 TSHR (0.56) TSHRTDP1L3MBTL1ALDH1A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106336384-A Synthetic method for forming oxazolidine-4-ketone 杭州师范大学 2017-01-18 CN claimed
CN-111793060-B NLRP3 modulators 先天肿瘤免疫公司 2023-06-06 CN disclosed
CN-111892577-A Compounds and methods for targeted degradation of androgen receptor 阿尔维纳斯运营股份有限公司 2020-11-06 CN disclosed
CN-111793060-A NLRP3 modulators 先天肿瘤免疫公司 2020-10-20 CN disclosed
CN-111212835-A Compounds and methods for targeted degradation of androgen receptors 阿尔维纳斯运营股份有限公司 2020-05-29 CN disclosed
CN-110914258-A NLRP3 modulators 先天肿瘤免疫公司 2020-03-24 CN disclosed
CN-106336384-A Synthetic method for forming oxazolidine-4-ketone 杭州师范大学 2017-01-18 CN disclosed
EP-1670460-B1 PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-11-26 EP disclosed
US-7517900-B2 Pyrazole derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 US disclosed
US-20050080087-A1 Pyrazole derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 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 (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-20050080087-A1 Pyrazole derivatives as cannabinoid receptor modulators CNR1, CNR2, NPY1R TSHR 526/4885TDP1 4156/4885L3MBTL1 4614/4885

“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.