SCHEMBL10138451

SCHEMBL10138451

CCCOCCOCCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.47
▸ CNR2 P34972 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ RORC P51449 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CALM1 P0DP23 1/20 0.41
▸ CAMKK2 Q96RR4 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL14870667 1.00 TSHR (0.47) TSHRCNR2MAPK1CHRM2CHRM1
SCHEMBL12918861 0.91 TSHR (0.45) TSHRCNR2HTTCALM1CAMKK2
SCHEMBL32672523 0.88 ALDH1A1 (0.48) TSHRCYP1A2LTA4HCYP2D6CYP2C9
SCHEMBL29467599 0.86 CALM1 (0.44) TSHRCNR2MAPK1KDM4ECALM1
SCHEMBL15357270 0.86 CALM1 (0.44) TSHRCNR2MAPK1KDM4ECALM1
SCHEMBL18073542 0.86 CALM1 (0.44) TSHRCNR2MAPK1KDM4ECALM1
SCHEMBL11978894 0.85 ALDH1A1 (0.47) TSHRCNR2MAPK1DRD3RORC
SCHEMBL26840747 0.84 BCHE (0.50) TSHRCYP1A2LTA4HCYP2D6CYP2C9
SCHEMBL2245187 0.84 USP2 (0.54) TSHRMAPK1CHRM2CHRM1DRD3
SCHEMBL24178220 0.82 CALM1 (0.44) TSHRCNR2MAPK1KDM4ECALM1

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-20130310912-A1 COVALENT MODIFICATION OF METAL SURFACES INTEZYNE TECHNOLOGIES (US) 2013-11-21 — — US disclosed
US-20120046735-A1 PLASMA MODIFICATION OF METAL SURFACES INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2012-02-23 — — US disclosed
US-20120046757-A1 COVALENT MODIFICATION OF METAL SURFACES INTEZYNE TECHNOLOGIES (US) 2012-02-23 — — US disclosed
US-8066824-B2 Covalent modification of metal surfaces INTEZYNE TECHNOLOGIES, INC. (US) 2011-11-29 — — US disclosed
US-20080035243-A1 Covalent modification of metal surfaces INTEZYNE TECHNOLOGIES (US) 2008-02-14 — — 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 (2 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-20080035243-A1 Covalent modification of metal surfaces ITGAL, ITGA1, ITGA5 TSHR 3733/4885CNR2 4871/4885MAPK1 4290/4885
US-20120046757-A1 COVALENT MODIFICATION OF METAL SURFACES ITGAL, ITGA1, ITGA5 TSHR 3733/4885CNR2 4871/4885MAPK1 4290/4885

“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.

Send feedback