SCHEMBL19873785

SCHEMBL19873785

CC(C)n1c(=O)c(Cc2ccccc2F)cn(CC(=O)O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ AKR1A1 P14550 2/20 0.37
▸ AKR1B1 P15121 2/20 0.37
▸ FPR1 P21462 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ SLC1A2 P43004 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NOD2 Q9HC29 1/20 0.35

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
SCHEMBL19873819 0.91 PTGDR2 (0.38) POLBALDH1A1TSHRHTTAKR1A1
SCHEMBL19873755 0.81 PTGDR2 (0.36) ALDH1A1TSHRAKR1A1AKR1B1PTGDR2
SCHEMBL19873974 0.79 PTGDR2 (0.34) POLBALDH1A1AKR1A1AKR1B1PTGDR2
SCHEMBL21900233 0.77 ALDH1A1 (0.40) POLBALDH1A1PTGDR2MAPTKDM4E
SCHEMBL21900250 0.77 ALDH1A1 (0.38) POLBALDH1A1MAPTKDM4EHSD17B10
SCHEMBL19874003 0.76 GNRHR (0.40) ALDH1A1AKR1B1MAPTKDM4EHPGD
SCHEMBL19873740 0.75 GNRHR (0.38) POLBALDH1A1PTGDR2MAPTSLC6A2
SCHEMBL19873720 0.74 GNRHR (0.41) PTGDR2
SCHEMBL30178406 0.74 GNRHR (0.41) PTGDR2
SCHEMBL19873909 0.70 ALDH1A1 (0.39) POLBALDH1A1MAPTKDM4E

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 POLB 3194/4885ALDH1A1 467/4885TSHR 566/4885
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics MC1R, BDKRB2, CCKBR POLB 3522/4885ALDH1A1 554/4885TSHR 440/4885

“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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