SCHEMBL12656102

SCHEMBL12656102

CCCCCCN(Cc1ccc(-c2ccc(C(C)(C)C)cc2)cc1)c1ccc(F)c(C(=O)OC)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.44
PTPRO Q16827 1/20 0.44
NR1H2 P55055 6/20 0.40
NR1H3 Q13133 6/20 0.40
CNR2 P34972 3/20 0.39
CNR1 P21554 1/20 0.39
SOAT1 P35610 1/20 0.38
RARB P10826 2/20 0.38
RARA P10276 1/20 0.38
RARG P13631 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
CETP P11597 1/20 0.36
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL1812957 0.92 PTPN11 (0.55) PTPN11PTPRONR1H2NR1H3CNR2
SCHEMBL12656207 0.89 PTPN11 (0.56) PTPN11PTPROCNR2RARBRARA
SCHEMBL12656074 0.89 PTPN11 (0.48) PTPN11PTPRONR1H2NR1H3CNR2
SCHEMBL12656103 0.89 PTPN11 (0.53) PTPN11PTPRONR1H2NR1H3CNR2
SCHEMBL12656001 0.85 LTB4R2 (0.48) PTPN11PTPRONR1H2NR1H3LTB4R2
SCHEMBL1812533 0.82 PTPN11 (0.60) PTPN11PTPRONR1H2NR1H3CNR2
SCHEMBL1814294 0.82 PTPN11 (0.59) PTPN11PTPROCNR2SOAT1CETP
SCHEMBL1812742 0.81 PTPN11 (0.68) PTPN11PTPROCNR2SOAT1RARB
SCHEMBL1812712 0.81 PTPN11 (0.60) PTPN11PTPRONR1H2NR1H3CNR2
SCHEMBL1812532 0.81 PTPN11 (0.63) PTPN11PTPROCNR2RARBRARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947851-B2 1,1′-(1,2-ethynediyl)bis-benzene derivatives as PTP 1-B inhibitors MERCK SERONO SA (CH) 2011-05-24 US disclosed
US-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors MERCK SERONO SA (CH) 2009-01-29 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-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors PTPRS, PTPRZ1, PTP4A1 PTPN11 38/4885PTPRO 4/4885NR1H2 1643/4885

“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.