SCHEMBL10035880

SCHEMBL10035880

CC1=Nc2ccc3ccc(OCCCCCC(=O)O)cc3c2C1(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PDE2A O00408 3/20 0.43
PDE3B Q13370 3/20 0.43
PDE3A Q14432 3/20 0.43
P2RY12 Q9H244 1/20 0.43
CYSLTR2 Q9NS75 3/20 0.43
CYSLTR1 Q9Y271 3/20 0.43
ACSL1 P33121 2/20 0.43
ACSL6 Q9UKU0 2/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
DPP4 P27487 4/20 0.42
ALK Q9UM73 1/20 0.41
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40

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
SCHEMBL10035883 0.89 CYSLTR2 (0.48) MEN1KMT2APDE3BPDE3AP2RY12
SCHEMBL662124 0.83 PDK2 (0.47) PDE2APDE3BPDE3AP2RY12ACSL1
SCHEMBL10035884 0.74 ALK (0.40) PDE2APDE3BPDE3AP2RY12CYSLTR2
SCHEMBL20460323 0.71 DHFR (0.50) CYSLTR2CYSLTR1ACSL1ACSL6PPARG
SCHEMBL3640511 0.70 TBXAS1 (0.38) MEN1KMT2A
SCHEMBL724483 0.69 F13A1 (0.42) MEN1KMT2ACYSLTR2CYSLTR1
SCHEMBL10035887 0.69 MEN1 (0.64) MEN1KMT2AMTNR1AMTNR1B
SCHEMBL8355645 0.69 HDAC1 (0.71) PDE2APDE3BPDE3AP2RY12CYSLTR2
SCHEMBL20910939 0.69 HDAC1 (0.71) PDE2APDE3BPDE3AP2RY12CYSLTR2
SCHEMBL20886119 0.69 HDAC1 (0.71) PDE2APDE3BPDE3AP2RY12CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981846-B1 MARKERS, METHOD FOR MANUFACTURING THEM AND THEIR APPLICATIONS LABORATOIRES SYNTH-INNOVE (FR) 2017-11-01 EP disclosed
US-20120045851-A1 LABELS, THEIR PRODUCTION PROCESS AND THEIR USES LABORATOIRES SYNTH-INNOVE (FR) 2012-02-23 US disclosed
US-20120045851-A1 LABELS, THEIR PRODUCTION PROCESS AND THEIR USES LABORATOIRES SYNTH-INNOVE (FR) 2012-02-23 US disclosed
US-8034626-B2 Labels, their production process and their uses LABORATOIRES SYNTH-INNOVE (FR) 2011-10-11 US disclosed
US-8034626-B2 Labels, their production process and their uses LABORATOIRES SYNTH-INNOVE (FR) 2011-10-11 US disclosed
US-20080318336-A1 Labels, Their Production Process And Their Uses LABORATOIRES SYNTH-INNOVE (FR) 2008-12-25 US disclosed
US-20080318336-A1 Labels, Their Production Process And Their Uses LABORATOIRES SYNTH-INNOVE (FR) 2008-12-25 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-20120045851-A1 LABELS, THEIR PRODUCTION PROCESS AND THEIR USES HLCS, PFAS, CYBA MEN1 3867/4885KMT2A 2800/4885PDE2A 4557/4885

“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.