SCHEMBL9342871

SCHEMBL9342871

Oc1ccc(Oc2ccc(F)cc2F)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 1/20 0.58
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
SCN4A P35499 1/20 0.48
AR P10275 1/20 0.48
PNLIP P16233 1/20 0.46
TAAR5 O14804 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
TRPA1 O75762 2/20 0.42
LTA4H P09960 1/20 0.42
NR1H2 P55055 1/20 0.42
BAX Q07812 1/20 0.42

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
SCHEMBL10664102 0.81 TAAR5 (0.49) HSPB1MEN1KMT2AESR1ESR2
SCHEMBL9762780 0.81 MEN1 (0.45) HSPB1MEN1KMT2AESR1ESR2
SCHEMBL10559362 0.81 SCN9A (0.50) MEN1KMT2AESR1ESR2
SCHEMBL4374841 0.81 HSPB1 (0.58) HSPB1MEN1KMT2ASCN4AAR
SCHEMBL9339651 0.81 HSPB1 (0.58) HSPB1SCN4AARTRPA1
SCHEMBL4372913 0.81 HSPB1 (0.58) HSPB1SCN4AARPNLIPTRPA1
SCHEMBL18646614 0.81 HSPB1 (0.58) HSPB1MEN1KMT2ASCN4AAR
SCHEMBL8298015 0.81 HSPB1 (0.58) HSPB1SCN4AARTRPA1
SCHEMBL15331685 0.80 HSPB1 (0.54) HSPB1SCN4AARPNLIPTRPA1
SCHEMBL4046853 0.80 PARP10 (0.61) MEN1KMT2AESR1ESR2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0363308-A1 Ethers CIBA-GEIGY AG (CH) 1990-04-11 EP claimed
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
EP-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 EP disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
EP-3060550-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2016-08-31 EP disclosed
WO-2015061247-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-04-30 WO disclosed
EP-0363308-B1 Ethers CIBA GEIGY AG (CH) 1994-06-01 EP disclosed
US-5229426-A Treating with 1-(4-(halophenoxy)-phenoxy)-4-pentyne CIBA-GEIGY CORPORATION (US) 1993-07-20 US disclosed
US-5114977-A Ovicidal control of pests CIBA-GEIGY CORPORATION (US) 1992-05-19 US disclosed
EP-0363308-A1 Ethers CIBA-GEIGY AG (CH) 1990-04-11 EP 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-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK HSPB1 2931/4885MEN1 4112/4885KMT2A 1229/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK HSPB1 2931/4885MEN1 4112/4885KMT2A 1229/4885

“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.