SCHEMBL15713396

SCHEMBL15713396

CC(C)(C)c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C(C)(C)C)ccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 1/20 0.41
PLA2G1B P04054 1/20 0.41
NFKB1 P19838 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
KIF11 P52732 2/20 0.36
CYP19A1 P11511 1/20 0.33
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDK2 Q15119 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
SCHEMBL19002156 0.97 ALDH1A1 (0.42) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL24471521 0.93 PDK2 (0.41) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL25877919 0.92 NPC1 (0.39) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL27317130 0.90 PDK2 (0.40) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL17175635 0.89 AHR (0.41) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL25871094 0.88 PDK2 (0.38) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL24471592 0.88 PDK2 (0.41) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL26157483 0.87 PDK2 (0.40) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL25873542 0.86 PDK2 (0.38) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL20146681 0.85 PDK2 (0.37) ALDH1A1NPC1PLA2G1BNFKB1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3378857-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-03-24 EP disclosed
US-10957860-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2021-03-23 US disclosed
US-9978949-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2018-05-22 US disclosed
US-9978949-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2018-05-22 US disclosed
EP-2917198-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-05-16 EP disclosed
US-20150295181-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-10-15 US disclosed
US-20150295181-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-10-15 US disclosed
WO-2014072017-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2014-05-15 WO 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-10957860-B2 Materials for electronic devices GPX1, SDHB, EFNA1 ALDH1A1 257/4885NPC1 3627/4885PLA2G1B 3278/4885
US-20150295181-A1 MATERIALS FOR ELECTRONIC DEVICES GPX1, SDHB, EFNA1 ALDH1A1 257/4885NPC1 3627/4885PLA2G1B 3278/4885

“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.