SCHEMBL7149711

SCHEMBL7149711

CCCCCCCCCC(OON)OON

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.45
OPRM1 P35372 1/20 0.42
SPHK1 Q9NYA1 2/20 0.40
LMNA P02545 2/20 0.39
DNM1 Q05193 4/20 0.39
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
CYP2D6 P10635 2/20 0.38
PLA2G1B P04054 1/20 0.38
PLA2G2A P14555 1/20 0.38
GMNN O75496 1/20 0.38
POLB P06746 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
BLM P54132 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 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
SCHEMBL10945950 0.80 SMPD1 (0.48) SMPD1OPRM1SPHK1LMNADNM1
Hydrochloric Acid SCHEMBL10778343 0.78 SMPD1 (0.47) SMPD1OPRM1SPHK1LMNADNM1
SCHEMBL15377303 0.77 OPRM1 (0.48) SMPD1OPRM1SPHK1LMNADNM1
SCHEMBL11493629 0.76 SMPD1 (0.50) SMPD1SPHK1LMNADNM1TSHR
SCHEMBL11490676 0.76 SMPD1 (0.50) SMPD1SPHK1LMNADNM1TSHR
SCHEMBL1400448 0.76 OPRM1 (0.48) OPRM1SPHK1LMNACYP2D6PLA2G1B
SCHEMBL9751259 0.74 SMPD1 (0.44) SMPD1OPRM1LMNADNM1TSHR
SCHEMBL77792 0.73 SMPD1 (0.47) SMPD1OPRM1SPHK1LMNADNM1
SCHEMBL31379942 0.73 SMPD1 (0.47) SMPD1OPRM1SPHK1LMNADNM1
SCHEMBL873446 0.72 SMPD1 (0.50) SMPD1OPRM1SPHK1LMNADNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6448394-B1 FORMATION OF BLOCKED ISOCYANTES WITHOUT FREE ISOCYANATE PRESENT BY REACTING AMINE WITH CARBONIC ACID DERIVATIVE DSM N.V. (NL) 2002-09-10 US claimed
US-20030088020-A1 Powder paint binder composition DSM N.V. (NL) 2003-05-08 US disclosed
EP-1263829-A1 POWDER PAINT BINDER COMPOSITION DSM N.V. (NL) 2002-12-11 EP disclosed
US-6448394-B1 FORMATION OF BLOCKED ISOCYANTES WITHOUT FREE ISOCYANATE PRESENT BY REACTING AMINE WITH CARBONIC ACID DERIVATIVE DSM N.V. (NL) 2002-09-10 US disclosed
US-20020028932-A1 Process for the preparation of an N-alkyl or N-aryl carbamoyl derivative DSM IP ASSETS B.V. (NL) 2002-03-07 US disclosed
WO-2001064769-A1 POWDER PAINT BINDER COMPOSITION DSM N.V. (NL) 2001-09-07 WO disclosed
EP-1130039-A1 Powder paint binder composition DSM N.V. (NL) 2001-09-05 EP disclosed
EP-1115709-A1 PROCESS FOR THE PREPARATION OF AN N-ALKYL OR N-ARYL CARBAMOYL DERIVATIVE DSM N.V. (NL) 2001-07-18 EP disclosed
WO-2000017169-A1 PROCESS FOR THE PREPARATION OF AN N-ALKYL OR N-ARYL CARBAMOYL DERIVATIVE DSM N.V. (NL) 2000-03-30 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-20020028932-A1 Process for the preparation of an N-alkyl or N-aryl carbamoyl derivative OGDH, DOHH, CFH SMPD1 1802/4885OPRM1 3009/4885SPHK1 4588/4885

“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.