SCHEMBL18157312

SCHEMBL18157312

CO/C=C/c1ccc(I)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.48
KDM4E B2RXH2 3/20 0.37
CYP3A4 P08684 2/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TRPA1 O75762 1/20 0.35
RELA Q04206 1/20 0.35
CXCL12 P48061 1/20 0.35
CYP1A2 P05177 3/20 0.34
CYP1A1 P04798 3/20 0.34
CYP1B1 Q16678 3/20 0.34
ESR1 P03372 2/20 0.34
PTGS2 P35354 2/20 0.34
ABL1 P00519 1/20 0.34
TTR P02766 1/20 0.34
ABCB1 P08183 1/20 0.34
ALOX5 P09917 1/20 0.34
BCR P11274 1/20 0.34

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
SCHEMBL5384397 0.78 RELA (0.58) CYP3A4RELAPTGS2ALOX5TUBB4A
SCHEMBL5384402 0.78 RELA (0.58) CYP3A4RELAPTGS2ALOX5TUBB4A
SCHEMBL7868088 0.76 KDM4E (0.64) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL976834 0.76 APP (0.54) APPKDM4ECYP3A4LMNATP53
SCHEMBL9718330 0.76 NFE2L2 (0.59) APPTRPA1PTGS2ALOX5NQO2
SCHEMBL11808396 0.76 AHR (0.48) CYP1A2PTGS2ALOX5AHRNFE2L2
SCHEMBL7745235 0.76 AHR (0.48) CYP1A2PTGS2ALOX5AHRNFE2L2
SCHEMBL10981021 0.76 APP (0.54) APPKDM4ECYP3A4LMNATP53
SCHEMBL7132075 0.76 TUBB4A (0.50) APPKDM4ECYP3A4LMNATP53
SCHEMBL8741689 0.76 KDM4E (0.46) KDM4ECYP3A4LMNATP53TSHR

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-9663447-B2 Asymmetric butadiene-based charge transport compound, electrophotographic photoreceptor containing same, and image forming apparatus S-PRINTING SOLUTION CO., LTD. (KR) 2017-05-30 US disclosed
US-20160304437-A1 ASYMMETRIC BUTADIENE-BASED CHARGE TRANSPORT COMPOUND, ELECTROPHOTOGRAPHIC PHOTORECEPTOR CONTAINING SAME, AND IMAGE FORMING APPARATUS SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-10-20 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-20160304437-A1 ASYMMETRIC BUTADIENE-BASED CHARGE TRANSPORT COMPOUND, ELECTROPHOTOGRAPHIC PHOTORECEPTOR CONTAINING SAME, AND IMAGE FORMING APPARATUS ALDH1A2, USE1, SLC9A1 APP 2156/4885KDM4E 4458/4885CYP3A4 3877/4885

“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.