SCHEMBL16070587

SCHEMBL16070587

C#Cc1ccc([C@@H](C)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
HDAC8 Q9BY41 2/20 0.39
UGT2B7 P16662 1/20 0.39
ALDH1A1 P00352 1/20 0.37
PGR P06401 1/20 0.37
CYP2C9 P11712 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
PTPN1 P18031 1/20 0.34
PTPN5 P54829 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL16070644 1.00 NOS3 (0.41) NOS3NOS1HDAC8UGT2B7ALDH1A1
SCHEMBL30846910 1.00 NOS3 (0.41) NOS3NOS1HDAC8UGT2B7ALDH1A1
SCHEMBL16070696 0.82 HDAC8 (0.37) HDAC8ALDH1A1CYP2C9CA12CA1
SCHEMBL16070609 0.82 HDAC8 (0.37) HDAC8ALDH1A1CYP2C9CA12CA1
SCHEMBL16070604 0.82 HDAC8 (0.37) HDAC8ALDH1A1CYP2C9CA12CA1
SCHEMBL19435390 0.82 HDAC8 (0.37) HDAC8CYP2C9CA12CA1CA2
SCHEMBL17894156 0.82 HDAC8 (0.37) HDAC8CYP2C9CA12CA1CA2
SCHEMBL13832177 0.80 HDAC8 (0.40) HDAC8CYP2C9CA12CA1CA2
SCHEMBL624888 0.80 PYCR1 (0.42) HDAC8CYP2C9CA12CA1CA2
SCHEMBL28321091 0.80 ESR1 (0.46) HDAC8CYP2C9CA12CA1CA2

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-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2023-07-13 US disclosed
US-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2023-07-13 US disclosed
US-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2023-07-13 US disclosed
EP-4143172-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES Syddansk Universitet (DK) 2023-03-08 EP disclosed
CN-115720579-A Antibacterial and antifungal pleuromutilin conjugates 赛丹思科大学 2023-02-28 CN disclosed
WO-2021219813-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2021-11-04 WO disclosed
EP-2975022-B1 NOVEL HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-05-08 EP disclosed
CN-105073710-B Novel hydroxamic acid derivative or salt thereof 富山化学工业株式会社 2018-02-16 CN disclosed
US-9862676-B2 Hydroxamic acid derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2018-01-09 US disclosed
US-9862676-B2 Hydroxamic acid derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2018-01-09 US disclosed
US-20160039751-A1 NOVEL HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2016-02-11 US disclosed
US-20160039751-A1 NOVEL HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2016-02-11 US disclosed
US-20160039751-A1 NOVEL HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2016-02-11 US disclosed
EP-2975022-A1 NOVEL HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2016-01-20 EP disclosed
EP-2975022-A1 NOVEL HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2016-01-20 EP disclosed
CN-105073710-A Novel hydroxamic acid derivative or salt thereof TOYAMA CHEMICAL CO LTD 2015-11-18 CN disclosed
WO-2014142298-A1 NOVEL HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF 富山化学工業株式会社 (JP) 2014-09-18 WO 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-20160039751-A1 NOVEL HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF H1-0, H1-2, HDAC1 NOS3 1376/4885NOS1 617/4885HDAC8 30/4885
US-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES HDAC6, Q6ZSR9, MON2 NOS3 4071/4885NOS1 3880/4885HDAC8 986/4885

“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.