SCHEMBL3870740

SCHEMBL3870740

C[C@]12CCC3c4ccc(OC(=O)c5cccc(S(N)(=O)=O)c5)cc4CCC3C1CC[C@@H]2OC(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.68
ESR1 P03372 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
LMNA P02545 2/20 0.68
NR3C1 P04150 1/20 0.68
SHBG P04278 1/20 0.68
FYN P06241 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
ADRA2C P18825 1/20 0.68
SLC6A2 P23975 1/20 0.68
SLC6A4 P31645 1/20 0.68
HTR2B P41595 1/20 0.68
HTT P42858 1/20 0.68
ATM Q13315 1/20 0.68
CYP3A4 P08684 3/20 0.61
MAPT P10636 2/20 0.61
TP53 P04637 1/20 0.61
CA2 P00918 11/20 0.61
STS P08842 3/20 0.60
MEN1 O00255 2/20 0.59

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
SCHEMBL3864661 1.00 KMT2A (0.68) KMT2AESR1SMN1; SMN2LMNANR3C1
SCHEMBL3866528 0.98 SMN1; SMN2 (0.64) KMT2AESR1SMN1; SMN2LMNANR3C1
SCHEMBL3876321 0.93 SMN1; SMN2 (0.72) KMT2AESR1SMN1; SMN2LMNANR3C1
SCHEMBL3300046 0.92 LMNA (0.80) KMT2AESR1SMN1; SMN2LMNANR3C1
SCHEMBL3870726 0.91 ESR1 (0.69) KMT2AESR1SMN1; SMN2LMNANR3C1
SCHEMBL3871356 0.90 CA2 (0.73) KMT2AESR1SMN1; SMN2LMNAADORA3
SCHEMBL3864673 0.88 SMN1; SMN2 (0.67) KMT2AESR1SMN1; SMN2LMNANR3C1
SCHEMBL3868065 0.88 MAPT (0.66) KMT2AESR1SMN1; SMN2LMNANR3C1
SCHEMBL3299315 0.87 MAPT (0.81) KMT2AESR1SMN1; SMN2LMNANR3C1
SCHEMBL8155723 0.87 MAPT (0.81) KMT2AESR1SMN1; SMN2LMNANR3C1

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-7534780-B2 Estradiol prodrugs BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-05-19 US claimed
US-20050288267-A1 Estradiol prodrugs BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-12-29 US claimed
US-7534780-B2 Estradiol prodrugs BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-05-19 US disclosed
US-20050288267-A1 Estradiol prodrugs BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-12-29 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-20050288267-A1 Estradiol prodrugs CYP19A1, ESR1, HSD17B11 KMT2A 2558/4885ESR1 2/4885SMN1; SMN2 4715/4885

“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.