SCHEMBL2758296

SCHEMBL2758296

COc1cc(C)c(C(C)C)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
POLB P06746 2/20 0.57
GFER P55789 1/20 0.57
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.45
P2RX3 P56373 2/20 0.44
P2RX2 Q9UBL9 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACHE P22303 1/20 0.39

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
SCHEMBL14295929 0.88 POLB (0.66) GAAPOLBGFERALDH1A1LMNA
SCHEMBL12062506 0.88 POLB (0.55) GAAPOLBGFERALDH1A1LMNA
SCHEMBL24371606 0.88 GAA (0.50) GAAPOLBGFERALDH1A1LMNA
SCHEMBL14646980 0.88 POLB (0.60) GAAPOLBGFERALDH1A1LMNA
SCHEMBL13816288 0.85 GAA (0.50) GAAPOLBGFERALDH1A1P2RX3
Thymoquinol Dimethylether SCHEMBL12613923 0.84 POLB (0.66) GAAPOLBGFERALDH1A1LMNA
SCHEMBL16231126 0.83 POLB (0.59) GAAPOLBGFERALDH1A1LMNA
SCHEMBL21668014 0.83 POLB (0.50) GAAPOLBGFERP2RX3P2RX2
SCHEMBL23592452 0.83 GAA (0.46) GAAPOLBGFERALDH1A1LMNA
SCHEMBL13178784 0.83 GAA (0.46) GAAPOLBGFERALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
WO-2022084741-A1 CFTR MODULATOR COMPOUNDS, COMPOSITIONS, AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-04-28 WO disclosed
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds Prosetta Antiviral, Inc. (US) 2019-02-05 US disclosed
US-20170267630-A1 CLASS-AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-09-21 US disclosed
WO-2017039778-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-03-09 WO disclosed
US-9540317-B2 Class- and isoform-specific HDAC inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-01-10 US disclosed
US-9302990-B2 Fluorination of aromatic ring systems NUTECH VENTURES (US) 2016-04-05 US disclosed
US-20150307444-A1 CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-10-29 US disclosed
US-8716344-B2 Class- and isoform-specific HDAC inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-05-06 US disclosed
US-8546578-B2 Iodonium Cyclophanes for SECURE arene functionalization NUTECH VENTURES (US) 2013-10-01 US disclosed
US-20120208889-A1 CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUE, INC. (US) 2012-08-16 US disclosed
US-20120004417-A1 FLUORINATION OF AROMATIC RING SYSTEMS NATIONAL SCIENCE FOUNDATION 2012-01-05 US disclosed
US-20110313170-A1 Fluorination of Aromatic Ring Systems BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2011-12-22 US disclosed
US-20110190505-A1 Iodonium Cyclophanes for SECURE Arene Functionalization NATIONAL SCIENCE FOUNDATION 2011-08-04 US disclosed
US-20110190505-A1 Iodonium Cyclophanes for SECURE Arene Functionalization NATIONAL SCIENCE FOUNDATION 2011-08-04 US disclosed
US-7923562-B2 Photocleavable linker methods and compositions THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-04-12 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 (8 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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A GAA 447/4885POLB 635/4885GFER 3396/4885
US-20120004417-A1 FLUORINATION OF AROMATIC RING SYSTEMS PFAS, SLC43A1, DDC GAA 441/4885POLB 929/4885GFER 1572/4885
US-20150307444-A1 CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC6 GAA 99/4885POLB 3822/4885GFER 3134/4885
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds MAVS, EIF2AK2, POLRMT GAA 1987/4885POLB 126/4885GFER 4550/4885
US-20110190505-A1 Iodonium Cyclophanes for SECURE Arene Functionalization ABL1, SLC7A5, DDC GAA 2892/4885POLB 1821/4885GFER 1665/4885
US-20110313170-A1 Fluorination of Aromatic Ring Systems PFAS, SLC43A1, DDC GAA 441/4885POLB 929/4885GFER 1572/4885
US-20120208889-A1 CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC6 GAA 99/4885POLB 3822/4885GFER 3134/4885
US-20170267630-A1 CLASS-AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC6 GAA 99/4885POLB 3822/4885GFER 3134/4885

“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.