SCHEMBL4969468

SCHEMBL4969468

O=[N+]([O-])c1cc(Cl)cc(C2CCCCC2)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.49
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GPR35 Q9HC97 2/20 0.44
TTR P02766 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.41
PTGDR Q13258 2/20 0.41
PTGER2 P43116 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL29600832 0.83 HSP90AA1 (0.61) HSP90AA1MAPTALDH1A1LMNAKDM4E
SCHEMBL117983 0.83 HSP90AA1 (0.61) HSP90AA1MAPTALDH1A1LMNAKDM4E
SCHEMBL8786327 0.78 MAPK1 (0.51) HSP90AA1ALDH1A1LMNAPOLBKMT2A
SCHEMBL16098728 0.76 MAPT (0.46) MAPTALDH1A1GAANPSR1LMNA
SCHEMBL11718645 0.76 HSP90AA1 (0.53) HSP90AA1MAPTALDH1A1GAALMNA
SCHEMBL6010796 0.76 GPR35 (0.63) MAPTALDH1A1LMNAPOLBKDM4E
SCHEMBL5470372 0.75 HPGD (0.54) HSP90AA1MAPTALDH1A1LMNAPOLB
SCHEMBL7723661 0.75 TSHR (0.48) MAPTALDH1A1GAALMNAPOLB
SCHEMBL824145 0.75 GPR35 (0.56) HSP90AA1MAPTALDH1A1GAALMNA
SCHEMBL10798614 0.75 GPR35 (0.50) HSP90AA1MAPTALDH1A1LMNAKDM4E

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
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 HSP90AA1 2432/4885MAPT 387/4885ALDH1A1 142/4885

“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.