SCHEMBL130841

SCHEMBL130841

CCCCCCOCC1CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 2/20 0.46
THRB P10828 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
CES2 O00748 2/20 0.43
USP2 O75604 1/20 0.41
CES1 P23141 1/20 0.39
TSHR P16473 3/20 0.39
RECQL P46063 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
EPHX2 P34913 1/20 0.39
BLM P54132 1/20 0.39
GBA1 P04062 1/20 0.39
SPHK2 Q9NRA0 1/20 0.38

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
SCHEMBL8434237 1.00 ALDH1A1 (0.61) ALDH1A1TDP1SMN1; SMN2HTTTHRB
SCHEMBL13923572 1.00 ALDH1A1 (0.61) ALDH1A1TDP1SMN1; SMN2HTTTHRB
SCHEMBL125673 0.98 ALDH1A1 (0.57) ALDH1A1TDP1SMN1; SMN2HTTTHRB
SCHEMBL11995969 0.91 ALDH1A1 (0.57) ALDH1A1TDP1SMN1; SMN2HTTTHRB
SCHEMBL130814 0.91 ALDH1A1 (0.57) ALDH1A1TDP1SMN1; SMN2HTTTHRB
SCHEMBL17262062 0.91 ALDH1A1 (0.57) ALDH1A1TDP1SMN1; SMN2HTTTHRB
SCHEMBL13107064 0.91 SMN1; SMN2 (0.54) ALDH1A1TDP1SMN1; SMN2HTTTHRB
SCHEMBL14658202 0.90 SMN1; SMN2 (0.58) ALDH1A1TDP1SMN1; SMN2HTTTHRB
SCHEMBL125382 0.90
SCHEMBL9426190 0.90 ALDH1A1 (0.52) ALDH1A1TDP1SMN1; SMN2HTTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111018680-B Novel cyclopropylmethoxy derivatives 国际香料和香精公司 2023-07-28 CN claimed
EP-3636627-B1 NOVEL CYCLOPROPYLMETHOXY DERIVATIVES INT FLAVORS & FRAGRANCES INC (US) 2021-12-15 EP claimed
US-11111458-B2 Cyclopropylmethoxy derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2021-09-07 US claimed
CN-111018680-A Novel cyclopropyl methoxy derivative 国际香料和香精公司 2020-04-17 CN claimed
US-20200115652-A1 NOVEL CYCLOPROPYLMETHOXY DERIVATIVES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2020-04-16 US claimed
EP-3636627-A1 NOVEL CYCLOPROPYLMETHOXY DERIVATIVES International Flavors & Fragrances Inc. (US) 2020-04-15 EP claimed
CN-111018680-B Novel cyclopropylmethoxy derivatives 国际香料和香精公司 2023-07-28 CN disclosed
EP-3636627-B1 NOVEL CYCLOPROPYLMETHOXY DERIVATIVES INT FLAVORS & FRAGRANCES INC (US) 2021-12-15 EP disclosed
EP-3636627-B1 NOVEL CYCLOPROPYLMETHOXY DERIVATIVES INT FLAVORS & FRAGRANCES INC (US) 2021-12-15 EP disclosed
US-11111458-B2 Cyclopropylmethoxy derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2021-09-07 US disclosed
US-11111458-B2 Cyclopropylmethoxy derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2021-09-07 US disclosed
CN-111018680-A Novel cyclopropyl methoxy derivative 国际香料和香精公司 2020-04-17 CN disclosed
US-20200115652-A1 NOVEL CYCLOPROPYLMETHOXY DERIVATIVES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2020-04-16 US disclosed
EP-3636627-A1 NOVEL CYCLOPROPYLMETHOXY DERIVATIVES International Flavors & Fragrances Inc. (US) 2020-04-15 EP disclosed
EP-3636627-A1 NOVEL CYCLOPROPYLMETHOXY DERIVATIVES International Flavors & Fragrances Inc. (US) 2020-04-15 EP disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 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 (3 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-11111458-B2 Cyclopropylmethoxy derivatives TRPA1, TRPV1, CBR3 ALDH1A1 132/4885TDP1 3994/4885SMN1; SMN2 4715/4885
US-20200115652-A1 NOVEL CYCLOPROPYLMETHOXY DERIVATIVES TRPA1, TRPV1, OR51E2 ALDH1A1 221/4885TDP1 4237/4885SMN1; SMN2 4660/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 ALDH1A1 580/4885TDP1 4125/4885SMN1; SMN2 4613/4885

“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.