SCHEMBL14904053

SCHEMBL14904053

CCC[n+]1cc(-c2cc(OC)c(OC)c(-c3ccc(C(C)(C)C)cc3)c2)cc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ CNR1 P21554 2/20 0.31
▸ CNR2 P34972 2/20 0.31
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ EDNRA P25101 1/20 0.30
▸ PDGFRB P09619 1/20 0.30
▸ FYN P06241 1/20 0.30

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
SCHEMBL12074251 0.89 TDO2 (0.34) TDO2HSP90AA1HSP90AB1CNR1CNR2
SCHEMBL14904030 0.87 PDE4A (0.33) TDO2HSP90AA1HSP90AB1CNR1CNR2
SCHEMBL12074099 0.84 TDO2 (0.36) TDO2HSP90AA1HSP90AB1TP53MAPT
SCHEMBL12074910 0.81 ACACA (0.37) MEN1KMT2AATMMAPTPDGFRB
SCHEMBL14904028 0.79 PDCD1 (0.36) MEN1KMT2AMAPTFYN
SCHEMBL14904029 0.75 PDE4A (0.36) TDO2HSP90AA1HSP90AB1TP53MAPT
SCHEMBL12074701 0.75 TDO2 (0.37) TDO2HSP90AA1HSP90AB1RAB9AATM
SCHEMBL12074073 0.73 FYN (0.41) MEN1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL12074242 0.72 GAK (0.49) TDO2MEN1KMT2AMAPTPDGFRB
SCHEMBL12074707 0.72 TDO2 (0.43) TDO2HSP90AA1HSP90AB1MEN1RAB9A

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-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 — — US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 — — 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-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 TDO2 4238/4885HSP90AA1 1698/4885HSP90AB1 1917/4885

“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.

Send feedback