SCHEMBL21949349

SCHEMBL21949349

CCCc1ccc(OC(C)=O)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ F2 P00734 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ ACACB O00763 1/20 0.43
▸ MAPT P10636 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PDE10A Q9Y233 1/20 0.40
▸ PKM P14618 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ABCB11 O95342 1/20 0.37

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
SCHEMBL27544708 0.81 ALDH1A1 (0.45) ALDH1A1F2GLAHPGDLMNA
SCHEMBL11100510 0.81 ALDH1A1 (0.45) ALDH1A1F2GLAHPGDLMNA
SCHEMBL11375563 0.80 ALDH1A1 (0.44) ALDH1A1F2GLAHPGDLMNA
SCHEMBL10347409 0.79 TLR4 (0.36) ALDH1A1F2GLAHPGDLMNA
SCHEMBL10347412 0.79 TLR4 (0.36) ALDH1A1F2GLAHPGDLMNA
SCHEMBL10347410 0.79 TLR4 (0.36) ALDH1A1F2GLAHPGDLMNA
SCHEMBL13534998 0.79 ALDH1A1 (0.46) ALDH1A1LMNAMAPTKMT2AALOX15
SCHEMBL18851549 0.77 MCHR1 (0.43) ALDH1A1MAPTPDE10AKDM4EALOX15
SCHEMBL18763952 0.77 NQO1 (0.50) ALDH1A1LMNAACACBMAPTKMT2A
SCHEMBL10347437 0.76 HPGD (0.34) ALDH1A1F2GLAHPGDLMNA

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-11020488-B2 Pyrroloquinolin compounds and methods of using same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-06-01 — — US disclosed
US-20200129631-A1 PYRROLOQUINOLIN COMPOUNDS AND METHODS OF USING SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-04-30 — — 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-11020488-B2 Pyrroloquinolin compounds and methods of using same POLQ, SYNCRIP, PCNA ALDH1A1 1739/4885F2 2023/4885GLA 3607/4885
US-20200129631-A1 PYRROLOQUINOLIN COMPOUNDS AND METHODS OF USING SAME POLQ, SYNCRIP, PCNA ALDH1A1 1739/4885F2 2023/4885GLA 3607/4885

“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.

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