SCHEMBL2834565

SCHEMBL2834565

CC(Nc1ccc(Oc2ccccc2)cc1)=C1CCOC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
TAAR1 Q96RJ0 2/20 0.50
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
EPHX1 P07099 1/20 0.47
PGR P06401 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 2/20 0.45
POLB P06746 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43
TGM2 P21980 1/20 0.43
RNF4 P78317 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43

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
SCHEMBL10803826 0.87 ALDH1A1 (0.59) ALDH1A1TAAR1SMN1; SMN2EPHX1NPC1
SCHEMBL2834566 0.71 SMN1; SMN2 (0.50) ALDH1A1HPGDSMN1; SMN2EPHX1PGR
SCHEMBL171438 0.71 HPGD (0.71) ALDH1A1TAAR1HPGDSMN1; SMN2EPHX1
SCHEMBL2837762 0.69 HSP90AA1 (0.75) ALDH1A1HPGDPGRNPC1RAB9A
SCHEMBL4716799 0.69 ALDH1A1 (0.49) ALDH1A1HPGDSMN1; SMN2PGRNPC1
SCHEMBL13017282 0.68 HPGD (0.56) ALDH1A1HPGDSMN1; SMN2EPHX1PGR
SCHEMBL19263968 0.68 HPGD (0.61) ALDH1A1HPGDSMN1; SMN2EPHX1PGR
SCHEMBL201794 0.68 ALDH1A1 (0.67) ALDH1A1HPGDSMN1; SMN2EPHX1PGR
SCHEMBL30053559 0.67 CA12 (0.73) ALDH1A1HPGDSMN1; SMN2EPHX1PGR
SCHEMBL4653369 0.67 HPGD (0.70) ALDH1A1HPGDSMN1; SMN2EPHX1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170258784-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LIMITED (GB) 2017-09-14 US disclosed
US-9694006-B2 Use of pyrroloquinoline compounds to kill clinically latent microorganisms HELPERBY THERAPEUTICS LIMITED (GB) 2017-07-04 US disclosed
EP-1945211-B1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LTD (GB) 2015-10-21 EP disclosed
US-20120231995-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LIMITED (GB) 2012-09-13 US disclosed
US-8207187-B2 Use of pyrroloquinoline compounds to kill clinically latent microorganisms HELPERBY THERAPEUTICS LIMITED (GB) 2012-06-26 US disclosed
US-20100093691-A1 TOPICAL FORMULATIONS HELPERBY THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20090137622-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LIMITED (GB) 2009-05-28 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 (4 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-20170258784-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS LPO, ARG1, CTSL ALDH1A1 865/4885TAAR1 2600/4885HPGD 654/4885
US-20090137622-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS LPO, ARG1, CTSL ALDH1A1 865/4885TAAR1 2600/4885HPGD 654/4885
US-20120231995-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS LPO, ARG1, CTSL ALDH1A1 865/4885TAAR1 2600/4885HPGD 654/4885
US-20100093691-A1 TOPICAL FORMULATIONS DPM1, SUCLG1, LSS ALDH1A1 461/4885TAAR1 1959/4885HPGD 507/4885

“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.