SCHEMBL6489983

SCHEMBL6489983

CC1(C[Si](C)(C)C)Cc2cc(C(=O)O)ccc2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 2/20 0.41
SSTR5 P35346 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.37
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36
HPGD P15428 2/20 0.36
BACE1 P56817 1/20 0.35
ALOX5 P09917 1/20 0.35
SRD5A2 P31213 2/20 0.35
SRD5A1 P18405 1/20 0.35
KDM4E B2RXH2 3/20 0.35

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
SCHEMBL10822265 0.87 RXRA (0.48) RXRATDP1ALDH1A1MAPK1SSTR5
SCHEMBL2812534 0.80 RXRA (0.52) RXRATDP1ALDH1A1MAPK1SSTR5
SCHEMBL1506790 0.78 RXRA (0.50) RXRATDP1ALDH1A1MAPK1SSTR5
SCHEMBL15947248 0.74 TSHR (0.43) RXRAALDH1A1MAPK1KDM4EMAPT
SCHEMBL30195971 0.72 RXRA (0.64) RXRATDP1ALDH1A1MAPK1SSTR5
SCHEMBL3880185 0.72 RXRA (0.64) RXRATDP1ALDH1A1MAPK1SSTR5
SCHEMBL14898029 0.72 RXRA (0.50) RXRATDP1ALDH1A1MAPK1RARA
SCHEMBL6559892 0.71 RXRA (0.49) RXRATDP1ALDH1A1MAPK1RARA
SCHEMBL16742282 0.70 RARA (0.51) RXRATDP1ALDH1A1MAPK1RARA
SCHEMBL17224747 0.70 AKR1B1 (0.44) ALDH1A1HPGDKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894042-B2 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY (US) 2005-05-17 US disclosed
EP-1476448-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP disclosed
US-20040224976-A1 Azabicyclic compounds for the treatment of disease WALKER DANIEL PATRICK (US) 2004-11-11 US disclosed
US-20030232853-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-18 US disclosed
WO-2003070731-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 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 (2 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-20030232853-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 RXRA 1608/4885TDP1 1139/4885ALDH1A1 109/4885
US-20040224976-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 RXRA 1608/4885TDP1 1139/4885ALDH1A1 109/4885

“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.