SCHEMBL10276830

SCHEMBL10276830

CC(C)C(=O)c1cccc(-c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.60
HDAC8 Q9BY41 1/20 0.55
GAA P10253 2/20 0.50
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 1/20 0.50
RXRA P19793 4/20 0.49
RXRB P28702 4/20 0.49
RXRG P48443 1/20 0.49
KDM4E B2RXH2 1/20 0.48
DBH P09172 1/20 0.48
RECQL P46063 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
DHODH Q02127 1/20 0.46
GRM5 P41594 1/20 0.45
PDCD1 Q15116 1/20 0.44

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
SCHEMBL9039300 0.85 KMO (0.56) KMOHDAC8GAAERCC5FEN1
SCHEMBL7945435 0.83 GAA (0.59) HDAC8GAATDP1KDM4EDBH
SCHEMBL14564385 0.82 KMO (0.62) KMOHDAC8GAAERCC5FEN1
SCHEMBL4560389 0.82 KMO (0.53) KMOHDAC8ERCC5FEN1MAPT
SCHEMBL2625198 0.82 SMN1; SMN2 (0.61) GAAMAPTTDP1LMNAKDM4E
SCHEMBL1792142 0.81 TDP1 (0.52) GAAMAPTTDP1LMNAKDM4E
SCHEMBL22013781 0.81 KAT6A (0.49) GAAKDM4EDBHRECQLGRM5
SCHEMBL15981520 0.81 MGLL (0.53) KMOHDAC8GAALMNARXRA
SCHEMBL19863243 0.81 KMO (0.51) KMOHDAC8GAAERCC5FEN1
SCHEMBL163939 0.81 TDP1 (0.56) GAAMAPTTDP1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207355-A1 PHARMACEUTICAL COMPOSITION FOR ENHANCING ANTICANCER EFFECT OF ANTICANCER DRUG L-Base Co., Ltd. (KR) 2024-06-27 US disclosed
WO-2024092011-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-05-02 WO disclosed
US-20230159587-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER L-Base Co., Ltd. (KR) 2023-05-25 US disclosed
US-20230159587-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER L-Base Co., Ltd. (KR) 2023-05-25 US disclosed
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. 2023-04-20 US disclosed
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA AS REPRESENTED BY SECRETARY DEPT OF HEALTH AND HUMAN SERVICE (US) 2017-05-25 US disclosed
US-9452973-B2 Modulators of the relaxin receptor 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-09-27 US disclosed
EP-2479163-B1 METHOD FOR PRODUCING CYCLOHEXYL ALKYL KETONES MITSUBISHI GAS CHEMICAL CO (JP) 2016-06-29 EP disclosed
US-20150119426-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES 2015-04-30 US disclosed
US-8507727-B2 Method for producing cyclohexyl alkyl ketones MITSUBISHI GAS CHEMCIAL COMPANY, INC. (JP) 2013-08-13 US disclosed
EP-2479163-A1 METHOD FOR PRODUCING CYCLOHEXYL ALKYL KETONES Mitsubishi Gas Chemical Company, Inc. (JP) 2012-07-25 EP disclosed
US-20120178970-A1 METHOD FOR PRODUCING CYCLOHEXYL ALKYL KETONES MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-07-12 US disclosed
US-7829571-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 US disclosed
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 US disclosed
US-7482335-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-7482335-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CARTER PEROY H 2007-02-08 US disclosed
US-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CARTER PEROY H 2007-02-08 US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 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-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 KMO 3014/4885HDAC8 2212/4885GAA 4545/4885
US-20230159587-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER VIP, QPCT, TPT1 KMO 2095/4885HDAC8 1744/4885GAA 784/4885
US-20150119426-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 KMO 2597/4885HDAC8 1725/4885GAA 3991/4885
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK2AP2 KMO 3257/4885HDAC8 389/4885GAA 1581/4885
US-20240207355-A1 PHARMACEUTICAL COMPOSITION FOR ENHANCING ANTICANCER EFFECT OF ANTICANCER DRUG ALPG, SLC11A2, SGTA KMO 1704/4885HDAC8 1114/4885GAA 360/4885
US-20120178970-A1 METHOD FOR PRODUCING CYCLOHEXYL ALKYL KETONES HACL2, ALKBH3, HSD17B7 KMO 68/4885HDAC8 3021/4885GAA 1768/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 KMO 3014/4885HDAC8 2212/4885GAA 4545/4885
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 KMO 2597/4885HDAC8 1725/4885GAA 3991/4885

“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.