SCHEMBL346342

SCHEMBL346342

COc1cc2c(cc1F)CCCC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAOA P21397 4/20 0.41
MAOB P27338 4/20 0.41
PRKCI P41743 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 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
SCHEMBL11461839 0.93 HSD17B1 (0.49) HSD17B1MEN1KMT2AMAPK1NPSR1
SCHEMBL30558410 0.93 HSD17B1 (0.49) HSD17B1MEN1KMT2AMAPK1NPSR1
SCHEMBL25369104 0.90 HSD17B1 (0.46) HSD17B1MEN1KMT2AMAPK1NPSR1
SCHEMBL606742 0.90 PTGS2 (0.47) HSD17B1MEN1KMT2AKDM4EALDH1A1
SCHEMBL424613 0.86 HSD17B1 (0.54) HSD17B1MEN1KMT2AMAPK1NPSR1
SCHEMBL3972786 0.83 TUBB4A (0.46) HSD17B1MEN1KMT2AKDM4EALDH1A1
SCHEMBL9621112 0.82 KMT2A (0.53) HSD17B1MEN1KMT2AMAPK1NPSR1
SCHEMBL9621080 0.82 KMT2A (0.53) HSD17B1MEN1KMT2AMAPK1NPSR1
SCHEMBL2776025 0.81 HSD17B1 (0.50) HSD17B1MEN1KMT2AMAPK1NPSR1
SCHEMBL28633834 0.81 HSD17B1 (0.50) HSD17B1MEN1KMT2AMAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48156-E1 Electronic device comprising an organic semiconducting material NOVALED GMBH (DE) 2020-08-11 US disclosed
EP-3561876-A1 DISPLAY Novaled GmbH (DE) 2019-10-30 EP disclosed
EP-2786435-B1 Compounds NOVALED GMBH (DE) 2019-07-17 EP disclosed
US-10323043-B2 Derivatives of macrocyclic N-aryl-tricyclopyrimidine-2-amine polyethers as inhibitors of FTL3 and JAK PIERRE FABRE MEDICAMENT (FR) 2019-06-18 US disclosed
US-20170283432-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-TRICYCLOPYRIMIDINE-2-AMINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK PIERRE FABRE MEDICAMENT (FR) 2017-10-05 US disclosed
US-9722183-B2 Display NOVALED GMBH (DE) 2017-08-01 US disclosed
US-9040175-B2 Electronic device comprising an organic semiconducting material NOVALED AG (DE) 2015-05-26 US disclosed
US-20140332790-A1 Display NOVALED GMBH (DE) 2014-11-13 US disclosed
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20130200341-A1 Electronic Device Comprising an Organic Semiconducting Material NOVALED AG (DE) 2013-08-08 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 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 (4 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-20170283432-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-TRICYCLOPYRIMIDINE-2-AMINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK JAK2, JAK3, JAK1 HSD17B1 4253/4885MEN1 792/4885KMT2A 1010/4885
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 HSD17B1 482/4885MEN1 3294/4885KMT2A 41/4885
US-10323043-B2 Derivatives of macrocyclic N-aryl-tricyclopyrimidine-2-amine polyethers as inhibitors of FTL3 and JAK JAK2, JAK3, JAK1 HSD17B1 4253/4885MEN1 792/4885KMT2A 1010/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 HSD17B1 461/4885MEN1 3777/4885KMT2A 60/4885

“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.