SCHEMBL12759095

SCHEMBL12759095

CC(Cc1ccccc1)P(C1CCCCC1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
TAAR1 Q96RJ0 4/20 0.41
SLC6A2 P23975 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
SLC18A2 Q05940 2/20 0.40
CYP2D6 P10635 1/20 0.39
TRPA1 O75762 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
SCHEMBL12759082 0.77 ALDH1A1 (0.35)
SCHEMBL31494761 0.73 CYP2D6 (0.52) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL8806240 0.73 SIGMAR1 (0.46) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL12759094 0.73 GAA (0.46) CYP2D6
Isobutylbenzene SCHEMBL6567423 0.71 SIGMAR1 (0.45) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL27969072 0.71 SIGMAR1 (0.45) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL1058083 0.71 SHBG (0.32)
SCHEMBL30673227 0.70 GAA (0.43) TAAR1
SCHEMBL2702521 0.70 PDE4A (0.45) SIGMAR1TAAR1SLC6A2MAOASLC6A4
Biphenyl SCHEMBL27916362 0.69 ROCK2 (0.37) SLC6A2SLC6A4SLC6A3

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-8466306-B2 Sulfonated organophosphine compounds and use in hydroformylation processes DOW GLOBAL TECHNOLOGIES LLC (US) 2013-06-18 US disclosed
US-8466306-B2 Sulfonated organophosphine compounds and use in hydroformylation processes DOW GLOBAL TECHNOLOGIES LLC (US) 2013-06-18 US disclosed
US-20110054203-A1 SULFONATED ORGANOPHOSPHINE COMPOUNDS AND USE IN HYDROFORMYLATION PROCESSES DOW GLOBAL TECHNOLOGIES INC. (US) 2011-03-03 US disclosed
US-20110054203-A1 SULFONATED ORGANOPHOSPHINE COMPOUNDS AND USE IN HYDROFORMYLATION PROCESSES DOW GLOBAL TECHNOLOGIES INC. (US) 2011-03-03 US disclosed
WO-2009091669-A1 SULFONATED ORGANOPHOSPHINE COMPOUNDS AND USE IN HYDROFORMYLATION PROCESSES DOW GLOBAL TECHNOLOGIES INC. (US) 2009-07-23 WO 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-20110054203-A1 SULFONATED ORGANOPHOSPHINE COMPOUNDS AND USE IN HYDROFORMYLATION PROCESSES ORMDL3, IP6K3, ALK SIGMAR1 167/4885TAAR1 950/4885SLC6A2 3075/4885

“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.