SCHEMBL16216735

SCHEMBL16216735

CCCCc1ccc(Oc2ccc(C)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.50
▸ RAB9A P51151 4/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ GAA P10253 1/20 0.46
▸ ACACB O00763 4/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ OPRM1 P35372 5/20 0.41
▸ OPRD1 P41143 4/20 0.41
▸ OPRK1 P41145 4/20 0.41
▸ ACACA Q13085 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL31225434 0.84 KDM4E (0.56) KDM4ERAB9ANPC1GAAACACB
SCHEMBL15054860 0.84 KDM4E (0.56) KDM4ERAB9ANPC1GAAACACB
SCHEMBL9889562 0.83 TAAR1 (0.52) KDM4ERAB9ANPC1GAAMEN1
SCHEMBL9889505 0.83 KDM4E (0.51) KDM4ERAB9ANPC1GAAACACB
SCHEMBL12341170 0.80 IGF1R (0.47) POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL8737052 0.80 KDM4E (0.66) KDM4ERAB9ANPC1GAAMEN1
SCHEMBL5943019 0.79 RAB9A (0.44) KDM4ERAB9ANPC1GAAACACB
SCHEMBL21656822 0.79 GRM2 (0.57) KDM4EMEN1KMT2ANFKB1OPRM1
SCHEMBL21656688 0.79 PDE4B (0.53) ACACBOPRM1OPRD1OPRK1MAPT
SCHEMBL21628606 0.78 OPRM1 (0.67) OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030855-B2 Process for making amino diaryl ethers and amino diaryl ethers hydrochloride salts CELLESTIA BIOTECH AG (CH) 2024-07-09 — — US disclosed
US-20180224429-A1 INHIBITORS OF NOTCH SIGNALLING PATHWAY AND USE THEREOF IN TREATMENT OF CANCERS ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2018-08-09 — — US disclosed
US-9296682-B2 Inhibitors of notch signalling pathway and use thereof in treatment of cancers ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2016-03-29 — — US disclosed
US-20140329867-A1 INHIBITORS OF NOTCH SIGNALLING PATHWAY AND USE THEREOF IN TREATMENT OF CANCERS ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2014-11-06 — — 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 (3 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-20140329867-A1 INHIBITORS OF NOTCH SIGNALLING PATHWAY AND USE THEREOF IN TREATMENT OF CANCERS NOTCH3, NOTCH1, NOTCH4 KDM4E 464/4885RAB9A 3103/4885NPC1 2594/4885
US-12030855-B2 Process for making amino diaryl ethers and amino diaryl ethers hydrochloride salts ADH1C, ADH1A, DDC KDM4E 499/4885RAB9A 932/4885NPC1 3749/4885
US-20180224429-A1 INHIBITORS OF NOTCH SIGNALLING PATHWAY AND USE THEREOF IN TREATMENT OF CANCERS NOTCH3, NOTCH1, NOTCH4 KDM4E 464/4885RAB9A 3103/4885NPC1 2594/4885

“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.

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