SCHEMBL131809

SCHEMBL131809

CC(C)CCCOCC1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.33
LMNA P02545 3/20 0.33
UGCG Q16739 2/20 0.33
GBA2 Q9HCG7 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRB1 P08588 2/20 0.33
CYP2D6 P10635 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
ADRB2 P07550 1/20 0.32
GAA P10253 1/20 0.32
BLM P54132 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DRD2 P14416 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
SCHEMBL26726817 0.92 GBA1 (0.31) GBA1LMNAUGCGGBA2ADRB1
SCHEMBL131694 0.91 GBA1 (0.38) GBA1LMNAUGCGGBA2TSHR
SCHEMBL127677 0.88 ALDH1A1 (0.34) GBA1LMNAUGCGGBA2TSHR
SCHEMBL16674382 0.88 ALDH1A1 (0.34) GBA1LMNAUGCGGBA2TSHR
SCHEMBL14590450 0.84 TSHR (0.38) GBA1UGCGGBA2TSHRSMN1; SMN2
SCHEMBL24607587 0.82 DRD2 (0.39) GBA1UGCGGBA2SMN1; SMN2SIGMAR1
SCHEMBL21107631 0.82 DRD2 (0.39) GBA1UGCGGBA2SIGMAR1DRD2
SCHEMBL16674491 0.81 HSD17B10 (0.34) LMNASMN1; SMN2ADRB1CYP2D6MEN1
SCHEMBL23560165 0.81 SMN1; SMN2 (0.32) GBA1SMN1; SMN2ALDH1A1TDP1
SCHEMBL21106043 0.81 PIK3CD (0.43) GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303836-A1 POLYMER FILM AND LAMINATE FUJIFILM CORPORATION (JP) 2023-09-28 US 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 (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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 GBA1 1194/4885LMNA 1679/4885UGCG 1855/4885

“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.