SCHEMBL20126317

SCHEMBL20126317

C=CCC/C=C\CCON1C(C)(C)CC(c2ccc(-c3ccc(OC)cc3F)cc2F)CC1(C)C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM1A O60341 2/20 0.32
KDM1B Q8NB78 2/20 0.32
ERN1 O75460 1/20 0.30
METAP2 P50579 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
SCHEMBL20126195 0.90 KDM1A (0.33) KDM4ENPSR1KDM1AKDM1BERN1
SCHEMBL20126236 0.87 SLC6A2 (0.32)
SCHEMBL20126151 0.83
SCHEMBL20126125 0.81 FFAR1 (0.36) KDM4ENPSR1
SCHEMBL20126354 0.81 CHKA (0.30)
SCHEMBL20126312 0.78 ALDH1A1 (0.34)
SCHEMBL20126197 0.77 SGPL1 (0.30)
SCHEMBL20126187 0.76 APP (0.32) KDM4ENPSR1
SCHEMBL20126335 0.74 PTGS2 (0.38) KDM4ENPSR1
SCHEMBL20126231 0.73 DRD2 (0.34)

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-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-10 US disclosed
US-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-10 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-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, PLD1, DRD2 KDM4E 3031/4885NPSR1 1209/4885KDM1A 823/4885

“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.