SCHEMBL4494679

SCHEMBL4494679

COc1ccc2cc(B(O)O)oc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
HSD17B10 Q99714 3/20 0.53
MGLL Q99685 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 5/20 0.53
HPGD P15428 4/20 0.53
CA12 O43570 3/20 0.53
CA9 Q16790 3/20 0.53
CA1 P00915 2/20 0.53
CA3 P07451 2/20 0.53
CA4 P22748 2/20 0.53
CA6 P23280 2/20 0.53
CA7 P43166 2/20 0.53
CA14 Q9ULX7 2/20 0.53
AKR1B1 P15121 1/20 0.53
CA5A P35218 1/20 0.53
GAA P10253 3/20 0.51
MAOB P27338 2/20 0.51
SLC16A3 O15427 1/20 0.51
CA2 P00918 3/20 0.50

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
SCHEMBL2963271 0.86 KDM4E (0.53) KDM4EHSD17B10MGLLTDP1ALDH1A1
SCHEMBL28632856 0.80 CA9 (0.58) KDM4EHSD17B10MGLLTDP1ALDH1A1
SCHEMBL1602863 0.80 CA12 (0.58) KDM4EHSD17B10MGLLTDP1ALDH1A1
SCHEMBL17874149 0.79 CA12 (0.59) KDM4EHSD17B10MGLLTDP1ALDH1A1
SCHEMBL28819309 0.77 ALDH1A1 (0.58) KDM4EHSD17B10ALDH1A1HPGDCA12
SCHEMBL18305548 0.77 KDM4E (0.58) KDM4EHSD17B10MGLLTDP1ALDH1A1
SCHEMBL719714 0.74 ALDH1A1 (0.59) KDM4EHSD17B10ALDH1A1HPGDCA12
SCHEMBL8405342 0.73 KDM4E (0.58) KDM4EHSD17B10MGLLTDP1ALDH1A1
SCHEMBL28033663 0.73 ALDH1A1 (0.58) KDM4EHSD17B10ALDH1A1HPGDCA12
SCHEMBL18725071 0.73 ALDH1A1 (0.58) KDM4EHSD17B10ALDH1A1HPGDCA12

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11279689-B2 1-(3-(6-(3-hydroxynaphthalen-1-yl)benzofuran-2-yl)azetidin-1 yl)prop-2-en-1-one derivatives and similar compounds as KRAS G12C modulators for treating cancer ARAXES PHARMA LLC (US) 2022-03-22 US disclosed
WO-2018140513-A1 1-(3-(6-(3-HYDROXYNAPHTHALEN-1-YL)BENZOFURAN-2-YL)AZETIDIN-1YL)PROP-2-EN-1-ONE DERIVATIVES AND SIMILAR COMPOUNDS AS KRAS G12C MODULATORS FOR TREATING CANCER ARAXES PHARMA LLC (US) 2018-08-02 WO disclosed
US-20180022750-A1 6-HYDROXYBENZOFURANYL- AND 6-ALKOXYBENZOFURANYL-SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-01-25 US disclosed
EP-3237417-A1 6-HYDROXYBENZOFURANYL- AND 6-ALKOXYBENZOFURANYL-SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Pharma Aktiengesellschaft (DE) 2017-11-01 EP disclosed
WO-2016102427-A1 6-HYDROXYBENZOFURANYL- AND 6-ALKOXYBENZOFURANYL-SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-30 WO disclosed
WO-2016000599-A1 C-BENZO FIVE-MEMBERED HETEROAROMATIC RING ARYL GLUCOSIDE DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海阳帆医药科技有限公司 2016-01-07 WO disclosed
US-20090318479-A1 SUBSTITUTED RING FUSED AZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED 2009-12-24 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-20180022750-A1 6-HYDROXYBENZOFURANYL- AND 6-ALKOXYBENZOFURANYL-SUBSTITUTED IMIDAZOPYRIDAZINES VEGFA, KDR, FLT4 KDM4E 1400/4885HSD17B10 808/4885MGLL 3564/4885
US-20090318479-A1 SUBSTITUTED RING FUSED AZINES AND THEIR USE IN CANCER THERAPY TP53, AZI2, MCL1 KDM4E 221/4885HSD17B10 3351/4885MGLL 4829/4885
US-11279689-B2 1-(3-(6-(3-hydroxynaphthalen-1-yl)benzofuran-2-yl)azetidin-1 yl)prop-2-en-1-one derivatives and similar compounds as KRAS G12C modulators for treating cancer KRAS, NRAS, HRAS KDM4E 413/4885HSD17B10 3857/4885MGLL 4857/4885

“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.