SCHEMBL17352045

SCHEMBL17352045

C[Sn](C)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TAAR1 Q96RJ0 3/20 0.43
CYP1A2 P05177 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MMP3 P08254 1/20 0.43
BCL2L1 Q07817 1/20 0.43
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
SLC22A3 O75751 1/20 0.40
SLC6A4 P31645 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL5952837 0.83 ALDH1A1 (0.50) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL444720 0.82 TSHR (0.39) ALDH1A1TDP1CA1CA2
Biphenyl SCHEMBL27624573 0.78 ALDH1A1 (0.69) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL1991754 0.74 ALDH1A1 (0.90) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL827097 0.74 ALDH1A1 (0.90) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL143471 0.74 ALDH1A1 (0.90) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL2637802 0.74 ALDH1A1 (0.90) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
Tannin Pyrogallol SCHEMBL11689471 0.74 ALDH1A1 (0.90) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
Biphenyl SCHEMBL895675 0.74 ALDH1A1 (0.90) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
Tannin Pyrogallol SCHEMBL21448 0.74 ALDH1A1 (0.90) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9622479-B2 Boron complexes with gradual 1-methylcyclopropene releasing capability THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2017-04-18 US disclosed
US-20150366212-A1 Boron Complexes With Gradual 1- Methylcyclopropene Releasing Capability THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2015-12-24 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-20150366212-A1 Boron Complexes With Gradual 1- Methylcyclopropene Releasing Capability BOLA2; BOLA2B, BLVRB, CBR1 ALDH1A1 3716/4885TAAR1 28/4885CYP1A2 193/4885

“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.