SCHEMBL9537676

SCHEMBL9537676

O=C(O)N1CCCCCCC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
HPGD P15428 3/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
MMP9 P14780 1/20 0.48
CA2 P00918 2/20 0.46
CHKA P35790 1/20 0.46
ATM Q13315 1/20 0.43
HTT P42858 2/20 0.43
F2 P00734 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 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
SCHEMBL21291787 1.00 ALDH1A1 (0.58) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL1151783 1.00 ALDH1A1 (0.58) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL6704420 1.00 ALDH1A1 (0.58) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL64790 1.00
SCHEMBL30523266 0.97 ALDH1A1 (0.55) ALDH1A1HPGDMMP1MMP2MMP3
Hydrochloric Acid SCHEMBL1477069 0.97 ALDH1A1 (0.55) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL28304091 0.97 ALDH1A1 (0.55) ALDH1A1HPGDMMP1MMP2MMP3
Water SCHEMBL9407657 0.97 ALDH1A1 (0.55) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL27386931 0.97 ALDH1A1 (0.55) ALDH1A1HPGDMMP1MMP2MMP3
Hydrochloric Acid SCHEMBL28211778 0.97 ALDH1A1 (0.55) ALDH1A1HPGDMMP1MMP2MMP3

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-10934395-B2 Polybenzimidazole oligomers with reactive end groups PBI PERFORMANCE PRODUCTS, INC. (US) 2021-03-02 US disclosed
US-5187165-A Eseroline derivatives; cholinergic agents; antidepressants HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-02-16 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-10934395-B2 Polybenzimidazole oligomers with reactive end groups PBRM1, PHB2, PHB1 ALDH1A1 3951/4885HPGD 3872/4885MMP1 4058/4885

“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.