SCHEMBL19873974

SCHEMBL19873974

CC(C)n1c(=O)c(Cc2cc(F)cc(F)c2)cn(CC(=O)O)c1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 8/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ PTGDR Q13258 1/20 0.33
▸ AKR1A1 P14550 4/20 0.32
▸ AKR1B1 P15121 4/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL19873755 0.84 PTGDR2 (0.36) PTGDR2AKR1A1AKR1B1ALDH1A1L3MBTL1
SCHEMBL19873785 0.79 POLB (0.39) PTGDR2AKR1A1AKR1B1ALDH1A1KDM4E
SCHEMBL21900233 0.78 ALDH1A1 (0.40) PTGDR2ALDH1A1KDM4EPOLBMAPT
SCHEMBL21900250 0.78 ALDH1A1 (0.38) ALDH1A1KDM4EPOLBMAPT
SCHEMBL19873819 0.77 PTGDR2 (0.38) PTGDR2AKR1A1AKR1B1ALDH1A1POLB
SCHEMBL19873909 0.71 ALDH1A1 (0.39) ALDH1A1KDM4EPOLBMAPT
SCHEMBL21900234 0.68 MAPT (0.32) ALDH1A1KDM4EPOLBMAPT
SCHEMBL19873809 0.67 PDE3B (0.46) ALDH1A1KDM4EPOLBMAPT
SCHEMBL19874003 0.67 GNRHR (0.40) AKR1B1ALDH1A1KDM4EMAPT
SCHEMBL19873740 0.66 GNRHR (0.38) PTGDR2CYP2C9PTGDRALDH1A1KDM4E

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 112/4885CYP2C9 851/4885PTGDR 52/4885
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics MC1R, BDKRB2, CCKBR PTGDR2 127/4885CYP2C9 715/4885PTGDR 69/4885

“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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