SCHEMBL19299702

SCHEMBL19299702

CC(C)c1ccc(OCC(=O)NNC(=O)Cc2ccco2)cc1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
TP53 P04637 2/20 0.54
THRB P10828 1/20 0.54
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 1/20 0.51
RECQL P46063 1/20 0.50
POLB P06746 1/20 0.49
UBE2N P61088 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 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
SCHEMBL19299646 0.90 UBE2N (0.59) MAPTTP53THRBALDH1A1UBE2N
SCHEMBL19299700 0.82 ALDH1A1 (0.57) MAPTRAB9ANPC1ALDH1A1RECQL
SCHEMBL12697080 0.77 KDM4E (0.74) MAPTALDH1A1UBE2NKMT2A
SCHEMBL19294525 0.74 RECQL (0.55) RAB9ANPC1ALDH1A1RECQLUBE2N
SCHEMBL19593737 0.74 MEN1 (0.49) MAPTTP53THRBRAB9ANPC1
SCHEMBL19294530 0.74 KDM4E (0.56) MAPTTP53RAB9AALDH1A1RECQL
SCHEMBL21676274 0.73 VHL (0.50) TP53RAB9ANPC1ALDH1A1POLB
SCHEMBL8430118 0.73 RAB9A (0.68) MAPTRAB9ANPC1ALDH1A1RECQL
SCHEMBL8241785 0.72 RAB9A (0.66) MAPTRAB9ANPC1ALDH1A1RECQL
SCHEMBL18900754 0.72 UBE2N (0.67) MAPTRAB9AALDH1A1RECQLUBE2N

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212183-B1 SYNERGISTIC COMPOSITIONS FOR TREATING MICROBIAL INFECTIONS UNIV ROCHESTER (US) 2019-10-02 EP disclosed
US-10028931-B2 Synergistic compositions for treating microbial infections UNIVERSITY OF ROCHESTER (US) 2018-07-24 US disclosed
US-20170246139-A1 SYNERGISTIC COMPOSITIONS FOR TREATING MICROBIAL INFECTIONS UNIVERSITY OF ROCHESTER (US) 2017-08-31 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 (2 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-10028931-B2 Synergistic compositions for treating microbial infections RNASE1, RNASEL, RNASEH1 MAPT 4406/4885TP53 2281/4885THRB 2297/4885
US-20170246139-A1 SYNERGISTIC COMPOSITIONS FOR TREATING MICROBIAL INFECTIONS RNASE1, RNASEL, RNASEH1 MAPT 4406/4885TP53 2281/4885THRB 2297/4885

“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.