SCHEMBL3930006

SCHEMBL3930006

Cc1cc(CCC(=O)O)n(C)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
P2RX7 Q99572 1/20 0.48
NPSR1 Q6W5P4 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
LMNA P02545 1/20 0.43
FFAR1 O14842 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40

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
SCHEMBL24159031 0.84 P2RX7 (0.47) KDM4EP2RX7LMNAFFAR1L3MBTL1
SCHEMBL2827976 0.81 LMNA (0.46) KDM4EP2RX7LMNAFFAR1L3MBTL1
SCHEMBL21576140 0.81 P2RX7 (0.48) KDM4EP2RX7LMNAFFAR1L3MBTL1
SCHEMBL3940461 0.81 P2RX7 (0.48) KDM4EP2RX7FFAR1SMN1; SMN2DAO
SCHEMBL8145392 0.81 NR1H4 (0.43) KDM4EP2RX7NPSR1NR1H4FFAR1
SCHEMBL21570111 0.80 LMNA (0.49) KDM4EP2RX7LMNAFFAR1L3MBTL1
SCHEMBL22437429 0.79 NR1H4 (0.48) KDM4ENPSR1NR1H4LMNAL3MBTL1
SCHEMBL25303381 0.79 KDM4E (0.51) KDM4ENPSR1LMNAL3MBTL1GABRP
SCHEMBL19634920 0.77 P2RX7 (0.40) P2RX7FFAR1SMN1; SMN2DAOHSD17B10
SCHEMBL14319133 0.76 NR1H4 (0.51) KDM4ENPSR1NR1H4L3MBTL1NPC1

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
EP-4029868-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2026-05-20 EP disclosed
CN-117304130-A MCL-1 inhibitors 吉利德科学公司 2023-12-29 CN disclosed
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
CN-112118845-B MCL-1 inhibitors 吉利德科学公司 2023-06-13 CN disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US disclosed
US-20220340535-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2022-10-27 US disclosed
EP-4029868-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. (US) 2022-07-20 EP disclosed
EP-3793565-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2022-01-05 EP disclosed
US-10988451-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2021-04-27 US disclosed
EP-3793565-A1 MCL-1 INHIBITORS Gilead Sciences, Inc. (US) 2021-03-24 EP disclosed
CN-112118845-A MCL-1 inhibitors 吉利德科学公司 2020-12-22 CN disclosed
US-20200331870-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2020-10-22 US disclosed
US-10703733-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2020-07-07 US disclosed
US-20190352271-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2019-11-21 US disclosed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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-20190352271-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 KDM4E 2079/4885P2RX7 4351/4885NPSR1 4702/4885
US-20200331870-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 KDM4E 2079/4885P2RX7 4351/4885NPSR1 4702/4885
US-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 KDM4E 2079/4885P2RX7 4351/4885NPSR1 4702/4885
US-10703733-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 KDM4E 2079/4885P2RX7 4351/4885NPSR1 4702/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 KDM4E 2079/4885P2RX7 4351/4885NPSR1 4702/4885
US-10988451-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 KDM4E 2079/4885P2RX7 4351/4885NPSR1 4702/4885
US-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 KDM4E 3977/4885P2RX7 2031/4885NPSR1 876/4885
US-20220340535-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 KDM4E 2079/4885P2RX7 4351/4885NPSR1 4702/4885

“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.