SCHEMBL3208807

SCHEMBL3208807

ClC(Cl)(Cl)c1ccc2ccccc2c1.ClC(Cl)(Cl)c1ncncn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP2A6 P11509 3/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
TSHR P16473 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
CASR P41180 1/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
EGFR P00533 1/20 0.32
CYP17A1 P05093 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL1538590 0.82 PTPN1 (0.48) PTPN1CYP2A6TSHRCYP3A4CYP1A2
SCHEMBL607283 0.78 TSHR (0.58) TSHRCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL7534910 0.76 TSHR (0.46) PTPN1CYP2A6TSHRCYP3A4CYP1A2
SCHEMBL2464063 0.75 CYP19A1 (0.42) TSHRCYP3A4CYP19A1CYP1A2ALDH1A1
Isobutane SCHEMBL27649309 0.74 UGT2B7 (0.44) PTPN1KDM4ECYP2A6TSHRCYP3A4
SCHEMBL3265568 0.73 TSHR (0.39) KDM4ETSHREGFRCYP19A1ALDH1A1
SCHEMBL5447490 0.73 ACHE (0.35) TSHRCYP3A4CYP2D6KCNH2CYP1A2
SCHEMBL2865073 0.73 CLK4 (0.38) KDM4ETSHRCYP3A4CYP2D6EGFR
SCHEMBL251722 0.73 HSP90AA1 (0.38)
SCHEMBL11757526 0.73 TSHR (0.55) PTPN1CYP2A6TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130071804-A1 Adhesive for Teeth-Straightening Members TOKUYAMA DENTAL CORPORATION (JP) 2013-03-21 US disclosed
US-20100184882-A1 ADHESIVE FOR TEETH-STRAIGHTENING MEMBERS NIHON UNIVERSITY (JP) 2010-07-22 US disclosed
EP-2149360-A1 ADHESIVE FOR TEETH-STRAIGHTENING MEMBERS Nihon University (JP) 2010-02-03 EP 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-20100184882-A1 ADHESIVE FOR TEETH-STRAIGHTENING MEMBERS ICAM1, TLN1, COIL PTPN1 4879/4885KDM4E 2897/4885CYP2A6 1938/4885

“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.