SCHEMBL9836726

SCHEMBL9836726

O=C(O)/C=C/c1ccc(O)nc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.66
CA12 O43570 3/20 0.57
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
CA3 P07451 3/20 0.57
CA4 P22748 3/20 0.57
CA6 P23280 3/20 0.57
CA5A P35218 3/20 0.57
CA7 P43166 3/20 0.57
CA9 Q16790 3/20 0.57
CA14 Q9ULX7 3/20 0.57
CA5B Q9Y2D0 3/20 0.57
AKR1B10 O60218 3/20 0.57
AKR1B1 P15121 3/20 0.57
HCAR2 Q8TDS4 3/20 0.57
DPP4 P27487 2/20 0.57
PKM P14618 2/20 0.57
ESR1 P03372 1/20 0.57
TYR P14679 1/20 0.57
ESR2 Q92731 1/20 0.57

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
SCHEMBL9836730 1.00 P4HTM (0.66) P4HTMCA12CA1CA2CA3
SCHEMBL11660064 0.82 P4HTM (0.68) P4HTMCA12CA1CA2CA3
SCHEMBL29789035 0.82 P4HTM (0.68) P4HTMCA12CA1CA2CA3
SCHEMBL6853074 0.82 P4HTM (0.68) P4HTMCA12CA1CA2CA3
SCHEMBL8731557 0.82 P4HTM (0.68) P4HTMCA12CA1CA2CA3
SCHEMBL11660063 0.82 P4HTM (0.68) P4HTMCA12CA1CA2CA3
SCHEMBL1604407 0.81 CYP3A4 (0.63) PKMALDH1A1HPGDHDAC3HDAC4
SCHEMBL16345452 0.79 P4HTM (0.64) P4HTMCA12CA1CA2CA3
SCHEMBL527594 0.79 P4HTM (0.64) P4HTMCA12CA1CA2CA3
SCHEMBL1124244 0.79 P4HTM (0.64) P4HTMCA12CA1CA2CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938258-B2 Substituted 2,3-dihydrobenzofuranyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2018-04-10 US disclosed
US-9938258-B2 Substituted 2,3-dihydrobenzofuranyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2018-04-10 US disclosed
US-9938258-B2 Substituted 2,3-dihydrobenzofuranyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2018-04-10 US disclosed
US-20160221994-A1 Substituted 2,3-Dihydrobenzofuranyl Compounds And Uses Thereof Karyopharm Therapeutics Inc. 2016-08-04 US disclosed
US-20160221994-A1 Substituted 2,3-Dihydrobenzofuranyl Compounds And Uses Thereof Karyopharm Therapeutics Inc. 2016-08-04 US disclosed
US-20160221994-A1 Substituted 2,3-Dihydrobenzofuranyl Compounds And Uses Thereof Karyopharm Therapeutics Inc. 2016-08-04 US disclosed
EP-2925750-A1 SUBSTITUTED 2,3-DIHYDROBENZOFURANYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics, Inc. (US) 2015-10-07 EP disclosed
WO-2014085607-A1 SUBSTITUTED 2,3-DIHYDROBENZOFURANYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2014-06-05 WO disclosed
WO-2014085607-A1 SUBSTITUTED 2,3-DIHYDROBENZOFURANYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2014-06-05 WO disclosed
EP-0210782-B1 PYRIDINE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1991-04-17 EP disclosed
US-4778796-A ω-(3-pyridyl)alkenamide derivatives and anti-allergenic pharmaceutical compositions containing same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1988-10-18 US disclosed
EP-0210782-A2 Pyridine compounds, process for the preparation thereof and pharmaceutical composition containing the same Dainippon Pharmaceutical Co., Ltd. (JP) 1987-02-04 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 (1 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-20160221994-A1 Substituted 2,3-Dihydrobenzofuranyl Compounds And Uses Thereof BCL6, MALT1, BCL3 P4HTM 499/4885CA12 918/4885CA1 3207/4885

“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.