SCHEMBL1671635

SCHEMBL1671635

CC(=O)/C=C/C(=O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL11918241 1.00 ALDH1A1 (0.33) ALDH1A1GLATDP1
SCHEMBL10308366 0.87 GABRP (0.35) ALDH1A1
SCHEMBL10308367 0.87 GABRP (0.35) ALDH1A1
SCHEMBL13455937 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9911578 0.77
SCHEMBL279294 0.77
SCHEMBL2622481 0.77 TSHR (0.53) ALDH1A1TDP1
SCHEMBL12377749 0.77 TSHR (0.53) ALDH1A1TDP1
SCHEMBL24256293 0.74 GABRP (0.33) ALDH1A1
SCHEMBL24725437 0.74 GABRP (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2023-10-26 US disclosed
US-20230293458-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2023-09-21 US disclosed
US-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-06-29 US disclosed
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders THE ROCKEFELLER UNIVERSITY (US) 2023-05-16 US disclosed
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 US disclosed
US-20170144986-A1 INHIBITOR OF BRUTON'S TYROSINE KINASE CENTAURUS BIOPHARMA CO., LTD. (CN) 2017-05-25 US disclosed
US-20170066791-A1 LXR AGONISTS AND USES THEREOF INSPIRNA, INC. 2017-03-09 US disclosed
US-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS FRANKLIN RICHARD (GB) 2012-08-09 US disclosed
WO-2012046062-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS SHIRE, LLC (US) 2012-04-12 WO 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-20170144986-A1 INHIBITOR OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN ALDH1A1 3931/4885GLA 3133/4885TDP1 200/4885
US-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES TYMS, TYMP, DHFR ALDH1A1 547/4885GLA 3063/4885TDP1 923/4885
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders NR1H3, NR1H2, MCL1 ALDH1A1 1591/4885GLA 3306/4885TDP1 2180/4885
US-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS OPRM1, UGT1A6, UGT1A4 ALDH1A1 327/4885GLA 1253/4885TDP1 3075/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS ALDH1A1 2917/4885GLA 2078/4885TDP1 705/4885
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 ALDH1A1 1591/4885GLA 3306/4885TDP1 2180/4885
US-20230293458-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME SI, FABP2, CEL ALDH1A1 1112/4885GLA 27/4885TDP1 2978/4885
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ALDH1A1 4162/4885GLA 1871/4885TDP1 3096/4885
US-20170066791-A1 LXR AGONISTS AND USES THEREOF NR1H3, NR1H2, NR1H4 ALDH1A1 2043/4885GLA 1959/4885TDP1 4429/4885

“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.