SCHEMBL17147384

SCHEMBL17147384

CC(C)(C)n1ccc(=O)c(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 10/20 0.44
DOHH Q9BU89 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TYR P14679 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
KDM6A O15550 1/20 0.35
KDM4A O75164 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM5C P41229 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MMP2 P08253 1/20 0.33
DBH P09172 1/20 0.33

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
SCHEMBL4713058 0.78 KDM4E (0.42) COMTDOHHKDM4ETYRCA12
SCHEMBL21090496 0.77 CA12 (0.33) DOHHKDM4ECA12CA1CA2
SCHEMBL17414487 0.75 CA12 (0.32) KDM4ECA12CA1CA2CA9
SCHEMBL20858082 0.73 ESR1 (0.33) TYR
SCHEMBL19175917 0.72 KDM5B (0.37) CA12CA1CA2CA9
SCHEMBL1768217 0.71
Hydrochloric Acid SCHEMBL13386456 0.70 CA12 (0.57) COMTDOHHKDM4ETYRCA12
SCHEMBL9332437 0.69
SCHEMBL4442471 0.67
SCHEMBL15495276 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2023-05-25 US disclosed
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2023-05-25 US disclosed
US-11643399-B2 Modulators of mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-05-09 US disclosed
US-11643399-B2 Modulators of mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-05-09 US disclosed
US-20230053860-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2023-02-23 US disclosed
US-20210395281-A1 MACROCYCLIC CHELATES AND USES THEREOF OXFORD FINANCE LLC 2021-12-23 US disclosed
US-20210032213-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2021-02-04 US disclosed
US-10730842-B2 Small molecule inhibitors of DYRK1A and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2020-08-04 US disclosed
US-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2020-02-06 US disclosed
US-9884841-B2 Small molecule inhibitors of Mcl-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-02-06 US disclosed
US-9884841-B2 Small molecule inhibitors of Mcl-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-02-06 US disclosed
US-20160304485-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-20 US disclosed
US-9394303-B2 Small molecule inhibitors of MCL-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-07-19 US disclosed
US-20150284387-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-08 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 (10 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-10730842-B2 Small molecule inhibitors of DYRK1A and uses thereof DYRK1A, DYRK2, DYRK1B COMT 4498/4885DOHH 4265/4885KDM4E 1699/4885
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 COMT 3531/4885DOHH 4719/4885KDM4E 3875/4885
US-20150284387-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF MCL1, BCL2L1, API5 COMT 3956/4885DOHH 2889/4885KDM4E 1138/4885
US-11643399-B2 Modulators of mas-related G-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 COMT 3531/4885DOHH 4719/4885KDM4E 3875/4885
US-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 COMT 4745/4885DOHH 3290/4885KDM4E 2963/4885
US-20210032213-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 COMT 3552/4885DOHH 4714/4885KDM4E 3882/4885
US-20210395281-A1 MACROCYCLIC CHELATES AND USES THEREOF PAICS, CLTC, CLTB COMT 2269/4885DOHH 1539/4885KDM4E 3342/4885
US-20160304485-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF MCL1, BCL2L1, BCL2L11 COMT 3393/4885DOHH 2691/4885KDM4E 1423/4885
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 COMT 3531/4885DOHH 4719/4885KDM4E 3875/4885
US-20230053860-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 COMT 3531/4885DOHH 4719/4885KDM4E 3875/4885

“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.