SCHEMBL15029079

SCHEMBL15029079

c1cc2c(cc1CNC13CC4CC(CC(C4)C1)C3)OCO2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
HPGD P15428 3/20 0.64
GAA P10253 2/20 0.50
TSHR P16473 1/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CNR2 P34972 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
SLC6A2 P23975 1/20 0.48
HRH2 P25021 1/20 0.48

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
SCHEMBL16884334 0.79 KDM1A (0.51) ALDH1A1SMN1; SMN2HPGDLMNACNR2
SCHEMBL15013548 0.74 HDAC6 (0.55) ALDH1A1SMN1; SMN2GAAKDM4ELMNA
SCHEMBL109279 0.73 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2HPGDGAATSHR
SCHEMBL15009244 0.73 CNR2 (0.62) ALDH1A1SMN1; SMN2HPGDGAAKDM4E
SCHEMBL13641357 0.72 TRPV6 (0.47) ALDH1A1SMN1; SMN2HPGDTSHRKDM4E
SCHEMBL25990229 0.72 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2HPGDGAATSHR
SCHEMBL3363241 0.71 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HPGDGAATSHR
SCHEMBL15013342 0.71 CNR2 (0.65) ALDH1A1SMN1; SMN2GAAKDM4ELMNA
SCHEMBL15009276 0.71 CNR2 (0.60) ALDH1A1SMN1; SMN2GAAKDM4ELMNA
SCHEMBL3362801 0.71 HDAC6 (0.63) ALDH1A1SMN1; SMN2GAAKDM4ELMNA

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-9884832-B2 Inhibitors targeting drug-resistant influenza A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-06 US disclosed
US-9884832-B2 Inhibitors targeting drug-resistant influenza A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-06 US disclosed
US-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-09 US disclosed
US-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-09 US disclosed
WO-2013086131-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-06-13 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 (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-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A HAVCR2, HDLBP, HSP90B1 ALDH1A1 3831/4885SMN1; SMN2 4878/4885HPGD 3158/4885

“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.