SCHEMBL20975679

SCHEMBL20975679

CC(C)=C(CC(C)(C)c1ccc(N)cc1)c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.43
NPC1 O15118 3/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 3/20 0.42
EPHX2 P34913 1/20 0.40
ESR1 P03372 4/20 0.39
ESR2 Q92731 4/20 0.39
ESRRG P62508 1/20 0.38
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAOA P21397 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL3144723 0.78 NPC1 (0.44) CYP19A1NPC1MAPTRAB9AEPHX2
SCHEMBL20975626 0.72 ESR1 (0.41) NPC1MAPTRAB9AEPHX2ESR1
SCHEMBL13654250 0.72 HIF1A (0.47) NPC1MAPTRAB9AEPHX2ESR1
SCHEMBL394785 0.70 MAPT (0.52) NPC1MAPTRAB9AEPHX2ESR1
SCHEMBL27459784 0.69 KIF11 (0.46) NPC1MAPTRAB9AEPHX2ALDH1A1
SCHEMBL23085456 0.69 ESR1 (0.53) NPC1MAPTRAB9AEPHX2ESR1
SCHEMBL13654326 0.68 MAPT (0.46) NPC1MAPTRAB9AEPHX2ESRRG
SCHEMBL582676 0.68 NPC1 (0.77) NPC1MAPTRAB9AESR1ESR2
SCHEMBL10574062 0.68 TAAR1 (0.62) NPC1MAPTRAB9AEPHX2ESR1
SCHEMBL6550540 0.66 SHBG (0.61) NPC1MAPTRAB9AEPHX2ESR1

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-11061327-B2 Polyimides FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2021-07-13 US disclosed
EP-3417011-B1 POLYIMIDES FUJIFILM ELECTRONIC MAT USA INC (US) 2019-09-11 EP disclosed
US-20190129303-A1 POLYIMIDES FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. 2019-05-02 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-11061327-B2 Polyimides DDC, DAO, AOC1 CYP19A1 3896/4885NPC1 4881/4885MAPT 2030/4885
US-20190129303-A1 POLYIMIDES DDC, PAICS, AOC1 CYP19A1 4179/4885NPC1 4879/4885MAPT 2448/4885

“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.