SCHEMBL19873819

SCHEMBL19873819

CC(C)n1c(=O)c(Cc2cccc(F)c2F)cn(CC(=O)O)c1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.38
▸ AKR1A1 P14550 8/20 0.36
▸ AKR1B1 P15121 8/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ SLC6A2 P23975 3/20 0.35
▸ PDE10A Q9Y233 1/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALKBH1 Q13686 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL19873785 0.91 POLB (0.39) PTGDR2AKR1A1AKR1B1ALDH1A1SLC6A2
SCHEMBL19874003 0.81 GNRHR (0.40) AKR1B1ALDH1A1
SCHEMBL19873755 0.79 PTGDR2 (0.36) PTGDR2AKR1A1AKR1B1ALDH1A1PDE10A
SCHEMBL19873974 0.77 PTGDR2 (0.34) PTGDR2AKR1A1AKR1B1ALDH1A1POLB
SCHEMBL21900250 0.76 ALDH1A1 (0.38) ALDH1A1POLB
SCHEMBL21900233 0.76 ALDH1A1 (0.40) PTGDR2ALDH1A1POLB
SCHEMBL19873740 0.75 GNRHR (0.38) PTGDR2ALDH1A1SLC6A2POLB
SCHEMBL30178406 0.74 GNRHR (0.41) PTGDR2
SCHEMBL19873720 0.74 GNRHR (0.41) PTGDR2
SCHEMBL19873801 0.70 GNRHR (0.42) —

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
CN-107428744-B Novel heterocyclic compounds and their use in medicine and cosmetics 盖尔德马研究及发展公司 2021-09-24 — — CN disclosed
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-04-02 — — US disclosed
US-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2018-02-22 — — 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-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS MC1R, CALCRL, BDKRB2 PTGDR2 112/4885AKR1A1 515/4885AKR1B1 488/4885
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics MC1R, BDKRB2, CCKBR PTGDR2 127/4885AKR1A1 454/4885AKR1B1 422/4885

“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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