SCHEMBL18372149

SCHEMBL18372149

Cc1ccc(P(=O)(c2ccc(-c3ccc4c5ccc(-c6ccc(P(=O)(c7ccc(C(F)(F)F)cc7)c7ccc(C(F)(F)F)cc7)cc6)cc5c5ccccc5c4c3)cc2)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 5/20 0.48
KIF11 P52732 4/20 0.42
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP4B1 P13584 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP3A5 P20815 1/20 0.38
CYP2A7 P20853 1/20 0.38
CYP3A7 P24462 1/20 0.38
CYP2F1 P24903 1/20 0.38
CYP2C18 P33260 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP2J2 P51589 1/20 0.38
CYP4F2 P78329 1/20 0.38

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
SCHEMBL20746693 0.93 KIF11 (0.48) PTPN5KIF11CYP1A1CYP1A2CYP2E1
SCHEMBL11991043 0.92 PTPN5 (0.40) PTPN5KIF11CYP1A1CYP1A2CYP2E1
SCHEMBL11991129 0.92 PTPN5 (0.40) PTPN5KIF11CYP1A1CYP1A2CYP2E1
SCHEMBL11991150 0.85 KIF11 (0.47) PTPN5KIF11CYP1A1CYP1B1
SCHEMBL11991154 0.84 KDM4E (0.38) PTPN5KIF11CYP1A1CYP1A2CYP2E1
SCHEMBL11991735 0.84 KIF11 (0.42) PTPN5KIF11CYP1A1CYP1A2CYP2E1
SCHEMBL11991725 0.84 KIF11 (0.42) PTPN5KIF11CYP1A1CYP1A2CYP2E1
SCHEMBL12126767 0.82 KIF11 (0.43) PTPN5KIF11CYP1A1CYP1A2CYP2E1
SCHEMBL28403513 0.82 KIF11 (0.61) KIF11CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL11991128 0.82 HPGD (0.46) PTPN5KIF11CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170012209-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-01-12 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-20170012209-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE PIEZO1, TERT, TPR PTPN5 4497/4885KIF11 2463/4885CYP1A1 2401/4885

“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.