SCHEMBL2232285

SCHEMBL2232285

C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)C=C1C(C)(C)CC[C@H](O)[C@@]12C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY1 Q08828 14/20 0.56
MAPK1 P28482 5/20 0.56
CYP3A4 P08684 4/20 0.56
TSHR P16473 3/20 0.56
NR1I2 O75469 2/20 0.56
ADRA1A P35348 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP2C19 P33261 2/20 0.56
GMNN O75496 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CYP2D6 P10635 1/20 0.56
NFKB1 P19838 1/20 0.56
HIF1A Q16665 1/20 0.56
CHRM2 P08172 1/20 0.56
ABCB1 P08183 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
SLC2A1 P11166 1/20 0.56

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
SCHEMBL10689691 1.00 ADCY1 (0.56) ADCY1MAPK1CYP3A4TSHRNR1I2
SCHEMBL9583206 0.92 ADCY1 (0.49) ADCY1MAPK1CYP3A4TSHRNR1I2
SCHEMBL9583224 0.92 ADCY1 (0.49) ADCY1MAPK1CYP3A4TSHRNR1I2
SCHEMBL9582583 0.91 ADCY1 (0.49) ADCY1MAPK1CYP3A4TSHRNR1I2
SCHEMBL11017836 0.90 ADCY1 (0.48) ADCY1MAPK1CYP3A4TSHRNR1I2
SCHEMBL10960852 0.90 ADCY1 (0.47) ADCY1MAPK1CYP3A4TSHRNR1I2
SCHEMBL9583167 0.90 ADCY1 (0.48) ADCY1MAPK1CYP3A4TSHRNR1I2
SCHEMBL2233613 0.90 ADCY1 (0.48) ADCY1MAPK1CYP3A4TSHRNR1I2
SCHEMBL9583815 0.89 ADCY1 (0.46) ADCY1MAPK1CYP3A4TSHRNR1I2
SCHEMBL9583026 0.89 ADCY1 (0.46) ADCY1MAPK1CYP3A4TSHRNR1I2

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-4782082-A BRONCHODILATORS, ANTIHISTAMINES SCHERING CORPORATION (US) 1988-11-01 US claimed
US-20110171195-A1 METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP DUKE UNIVERSITY (US) 2011-07-14 US disclosed
US-4782082-A BRONCHODILATORS, ANTIHISTAMINES SCHERING CORPORATION (US) 1988-11-01 US disclosed
US-4517200-A Method for treating allergic reactions with forskolin SCHERING-PLOUGH CORPORATION (US) 1985-05-14 US disclosed
EP-0116713-A1 Novel labdane derivatives, process for the preparation thereof, and pharmaceutical compositions containing labdane derivatives SCHERING CORPORATION (US) 1984-08-29 EP 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-20110171195-A1 METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP PDE7A, PDE8A, PDE8B ADCY1 37/4885MAPK1 2510/4885CYP3A4 1974/4885

“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.