SCHEMBL6419613

SCHEMBL6419613

Cc1c(C(=O)O)ccc2c1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.46
ALDH1A1 P00352 2/20 0.40
CES1 P23141 2/20 0.40
METAP2 P50579 1/20 0.40
RXRB P28702 5/20 0.40
RXRG P48443 5/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.39
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
GFER P55789 1/20 0.38
CXCR5 P32302 1/20 0.38
CYP1A2 P05177 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
CXCR2 P25025 1/20 0.38

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
SCHEMBL6419926 0.82 KDM4E (0.45) RXRAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2787728 0.78 SELL (0.47) RXRAALDH1A1METAP2RXRBRXRG
SCHEMBL819226 0.78 METAP2 (0.51) RXRAALDH1A1METAP2RXRBRXRG
SCHEMBL16540927 0.78 KDM4E (0.45) RXRAALDH1A1RXRBRXRGKDM4E
SCHEMBL564223 0.77 METAP2 (0.47) RXRAALDH1A1METAP2RXRBRXRG
SCHEMBL3551316 0.77 MEN1 (0.41) RXRAALDH1A1METAP2RXRBRXRG
Cyclohexane SCHEMBL253627 0.77 CYP1A2 (0.50) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL87519 0.77 CYP1A2 (0.57) RXRAALDH1A1RXRBRXRGKDM4E
SCHEMBL11727757 0.76 RXRA (0.51) RXRAALDH1A1RXRBRXRGKDM4E
SCHEMBL22102553 0.76 METAP2 (0.49) RXRAALDH1A1CES1METAP2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014789-A1 Amide derivatives as selective serotonin re-uptake inhibitors PFIZER INC 2005-01-20 US disclosed
EP-1027050-B1 1,3-THIAZOLES AS ADENOSINE A3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGY, ASTHMA AND DIABETES TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-14 EP disclosed
US-6620825-B1 1,3-Azole compound substituted by pyridyl; administering as antiasthmatic, antiinflammatory or antiallergen agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-16 US disclosed
US-6436966-B1 Adenosine A3 receptor antagonists TAKEDA CHEMICAL IND., LTD. (JP) 2002-08-20 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 (1 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-20050014789-A1 Amide derivatives as selective serotonin re-uptake inhibitors SLC6A4, HTR3C, HTR3A RXRA 2846/4885ALDH1A1 1300/4885CES1 314/4885

“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.