SCHEMBL17614919

SCHEMBL17614919

Ic1c(-c2ccccc2)c2c3c(I)c(-c4ccccc4)c4c5c(I)c(-c6ccccc6)c6c7c(I)c(-c8ccccc8)c8cccc9c(I)c(-c%10ccccc%10)c(c%10c(I)c(-c%11ccccc%11)c(c%11c(I)c(-c%12ccccc%12)c(c%12c(I)c(-c%13ccccc%13)c%13cccc1c%13c2%12)c3c%114)c5c%106)c7c98

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ACHE P22303 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PIM1 P11309 1/20 0.32
GFER P55789 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
EGFR P00533 1/20 0.30

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
SCHEMBL17614918 0.90 MGLL (0.33)
SCHEMBL22717308 0.79 ESR1 (0.39) ESR1ESR2CYP1A2CYP3A4CYP2C9
SCHEMBL13016375 0.73 ESR1 (0.45) ESR1ESR2ACHEMAPTKDM4E
SCHEMBL23639129 0.73 MAP2 (0.38) ESR1ESR2CYP1A2CYP3A4CYP2C9
SCHEMBL13016368 0.73 ENPP1 (0.36) ESR1ESR2CYP1A2CYP3A4CYP2C9
SCHEMBL22717148 0.73 ESR1 (0.48) ESR1ESR2ACHEMAPTKDM4E
SCHEMBL27902695 0.67 ESR1 (0.39) ESR1ESR2CYP1A2CYP3A4CYP2C9
SCHEMBL295908 0.66 ESR1 (0.46) ESR1ESR2ACHEMAPTKDM4E
SCHEMBL3783517 0.66 ESR1 (0.37) ESR1ESR2CYP1A2CYP3A4CYP2C19
SCHEMBL21821352 0.65 CYP1A2 (0.46) ESR1ESR2CYP1A2CYP3A4CYP2C9

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-10014475-B2 Graphene nanoribbons as semiconductors for organic thin film transistors EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2018-07-03 US disclosed
US-20160087212-A1 GRAPHENE NANORIBBONS AS SEMICONDUCTORS FOR ORGANIC THIN FILM TRANSISTORS CRESTLINE DIRECT FINANCE, L.P. 2016-03-24 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-10014475-B2 Graphene nanoribbons as semiconductors for organic thin film transistors STRA6, OR10J3, EPCAM ESR1 2134/4885ESR2 2243/4885CYP1A2 2294/4885
US-20160087212-A1 GRAPHENE NANORIBBONS AS SEMICONDUCTORS FOR ORGANIC THIN FILM TRANSISTORS STRA6, OR10J3, EPCAM ESR1 2134/4885ESR2 2243/4885CYP1A2 2294/4885

“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.