SCHEMBL19873755

SCHEMBL19873755

CC(C)n1c(=O)c(Cc2ccc(F)c(F)c2)cn(CC(=O)O)c1=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 4/20 0.36
▸ PTGS1 P23219 3/20 0.35
▸ PTGS2 P35354 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ AKR1A1 P14550 2/20 0.35
▸ AKR1B1 P15121 2/20 0.35
▸ P2RX3 P56373 2/20 0.35
▸ GRIN2B Q13224 1/20 0.34
▸ PDE10A Q9Y233 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
SCHEMBL19873974 0.84 PTGDR2 (0.34) PTGDR2ALDH1A1L3MBTL1AKR1A1AKR1B1
SCHEMBL19873785 0.81 POLB (0.39) PTGDR2ALDH1A1TSHRAKR1A1AKR1B1
SCHEMBL19873819 0.79 PTGDR2 (0.38) PTGDR2ALDH1A1TSHRAKR1A1AKR1B1
SCHEMBL21900250 0.76 ALDH1A1 (0.38) ALDH1A1
SCHEMBL21900233 0.76 ALDH1A1 (0.40) PTGDR2ALDH1A1
SCHEMBL19874003 0.69 GNRHR (0.40) ALDH1A1AKR1B1GRIN2B
SCHEMBL19873909 0.69 ALDH1A1 (0.39) ALDH1A1
SCHEMBL19873740 0.68 GNRHR (0.38) PTGDR2ALDH1A1
SCHEMBL19873720 0.67 GNRHR (0.41) PTGDR2P2RX3
SCHEMBL30178406 0.67 GNRHR (0.41) PTGDR2P2RX3

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 112/4885PTGS1 406/4885PTGS2 443/4885
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics MC1R, BDKRB2, CCKBR PTGDR2 127/4885PTGS1 459/4885PTGS2 501/4885

“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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