SCHEMBL21576141

SCHEMBL21576141

CC(C)C(=O)CCc1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
CNR1 P21554 1/20 0.44
GAA P10253 2/20 0.43
POLB P06746 2/20 0.43
EPHX2 P34913 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
PPARG P37231 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL9911552 0.83 POLQ (0.56) POLQHDAC1HDAC8ALDH1A1MAOB
SCHEMBL266248 0.83 ALDH1A1 (0.50) POLQHDAC1HDAC8ALDH1A1MAOB
SCHEMBL30257708 0.83 ALDH1A1 (0.50) POLQHDAC1HDAC8ALDH1A1MAOB
SCHEMBL7400128 0.82 HDAC1 (0.50) POLQHDAC1HDAC8ALDH1A1MAOB
SCHEMBL29733422 0.81 EPHX2 (0.59) POLQHDAC1HDAC8ALDH1A1CNR1
SCHEMBL1953231 0.81 EPHX2 (0.59) POLQHDAC1HDAC8ALDH1A1CNR1
SCHEMBL26860663 0.81 EPHX2 (0.43) HDAC1HDAC8MAOBMAOACNR1
SCHEMBL23662783 0.80 IAPP (0.53) POLQHDAC1HDAC8ALDH1A1MAOB
SCHEMBL26085402 0.80 IDO1 (0.42) POLQHDAC1HDAC8ALDH1A1MAOB
SCHEMBL3233422 0.79 MAOB (0.50) POLQHDAC1HDAC8ALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024497-A1 METHODS FOR THE SYNTHESIS OF PROTEIN-DRUG CONJUGATES CIDARA THERAPEUTICS, INC. 2024-01-25 US disclosed
US-20230398226-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS CIDARA THERAPEUTICS, INC. 2023-12-14 US disclosed
US-11833213-B2 Compositions and methods for the treatment of viral infections CIDARA THERAPEUTICS, INC. (US) 2023-12-05 US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US disclosed
US-20210228727-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS CIDARA THERAPEUTICS, INC. (US) 2021-07-29 US disclosed
US-20210220478-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS CIDARA THERAPEUTICS, INC. (US) 2021-07-22 US disclosed
US-10988451-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2021-04-27 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20230398226-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS FCGR3B, ALB, FCGR1A POLQ 1116/4885HDAC1 3199/4885HDAC8 3789/4885
US-20190352271-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 POLQ 961/4885HDAC1 204/4885HDAC8 596/4885
US-20240024497-A1 METHODS FOR THE SYNTHESIS OF PROTEIN-DRUG CONJUGATES RNGTT, RNMT, DNPEP POLQ 1172/4885HDAC1 3072/4885HDAC8 3564/4885
US-10703733-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 POLQ 961/4885HDAC1 204/4885HDAC8 596/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 POLQ 961/4885HDAC1 204/4885HDAC8 596/4885
US-20210228727-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS FCGR3B, ALB, FCGR1A POLQ 1116/4885HDAC1 3199/4885HDAC8 3789/4885
US-11833213-B2 Compositions and methods for the treatment of viral infections FCGR3B, ALB, FCGR1A POLQ 1116/4885HDAC1 3199/4885HDAC8 3789/4885
US-20210220478-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS FCGR3B, ALB, FCGR1A POLQ 1116/4885HDAC1 3199/4885HDAC8 3789/4885
US-10988451-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 POLQ 961/4885HDAC1 204/4885HDAC8 596/4885

“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.