SCHEMBL13841024

SCHEMBL13841024

CC(C)C(=O)CCc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 3/20 0.51
PLAAT5 Q96KN8 3/20 0.51
PLAAT2 Q9NWW9 3/20 0.51
PLAAT4 Q9UL19 3/20 0.51
GAA P10253 2/20 0.49
FFAR1 O14842 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
KMT2A Q03164 2/20 0.45
PDPK1 O15530 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL21099895 0.90 ALDH1A1 (0.45) FFAR1KMT2AMEN1KDM4EALDH1A1
SCHEMBL29318772 0.89 HDAC3 (0.51) PLAAT3PLAAT5PLAAT2PLAAT4GAA
SCHEMBL106904 0.82 ESR1 (0.50) GAAHDAC2HDAC8KMT2AMEN1
SCHEMBL19658332 0.82 ALDH1A1 (0.59) FFAR1KMT2AMEN1POLBCYP1A2
SCHEMBL2625210 0.82 FFAR1 (0.51) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL28675816 0.81 FFAR1 (0.46) FFAR1KMT2APDPK1POLBCTDSP1
SCHEMBL6303062 0.81 FFAR1 (0.50) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL7639787 0.81 GFER (0.48) KDM4EALDH1A1
SCHEMBL7823277 0.80 NPC1 (0.50) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL105766 0.80 ALDH1A1 (0.61) FFAR1HDAC1HDAC6HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US disclosed
US-10988451-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2021-04-27 US 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
US-20150322087-A1 CEPHALOSPORIN DERIVATIVES AND METHODS OF USE UNIVERSITY OF KANSAS 2015-11-12 US disclosed
US-7531539-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-12 US disclosed
US-7531539-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-12 US disclosed
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 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 PLAAT3 1089/4885PLAAT5 1674/4885PLAAT2 1792/4885
US-20200331870-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 PLAAT3 1089/4885PLAAT5 1674/4885PLAAT2 1792/4885
US-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 PLAAT3 1089/4885PLAAT5 1674/4885PLAAT2 1792/4885
US-10703733-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 PLAAT3 1089/4885PLAAT5 1674/4885PLAAT2 1792/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 PLAAT3 1089/4885PLAAT5 1674/4885PLAAT2 1792/4885
US-20150322087-A1 CEPHALOSPORIN DERIVATIVES AND METHODS OF USE CNDP2, CLSPN, PEPD PLAAT3 2668/4885PLAAT5 1885/4885PLAAT2 2742/4885
US-10988451-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 PLAAT3 1089/4885PLAAT5 1674/4885PLAAT2 1792/4885
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS JAK2, NTRK2, NTRK3 PLAAT3 655/4885PLAAT5 1664/4885PLAAT2 1948/4885

“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.