SCHEMBL19812518

SCHEMBL19812518

CC(=O)Oc1ccc(OC(C)=O)c(C=CC(=O)O)c1.O=C(O)C=Cc1cc(O)ccc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.54
PTGER2 P43116 7/20 0.54
PTGER3 P43115 7/20 0.54
PTGER1 P34995 4/20 0.54
LTB4R Q15722 1/20 0.51
LTB4R2 Q9NPC1 1/20 0.51
KDM4E B2RXH2 2/20 0.48
PTGDR Q13258 1/20 0.48
LMNA P02545 1/20 0.48
HDAC8 Q9BY41 1/20 0.46
AKR1C3 P42330 3/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
PTPN1 P18031 2/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C1 Q04828 1/20 0.44
BACE1 P56817 1/20 0.44

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
SCHEMBL19812517 1.00 PTGER4 (0.54) PTGER4PTGER2PTGER3PTGER1LTB4R
SCHEMBL344776 0.86 PTGER4 (0.70) PTGER4PTGER2PTGER3PTGER1LTB4R
SCHEMBL344775 0.86 PTGER4 (0.70) PTGER4PTGER2PTGER3PTGER1LTB4R
SCHEMBL9198695 0.84 HDAC8 (0.56) PTGER4PTGER2PTGER3PTGER1LTB4R
SCHEMBL9198688 0.84 HDAC8 (0.56) PTGER4PTGER2PTGER3PTGER1LTB4R
SCHEMBL344658 0.83 PTGER3 (0.68) PTGER4PTGER2PTGER3PTGER1LTB4R
SCHEMBL344657 0.83 PTGER3 (0.68) PTGER4PTGER2PTGER3PTGER1LTB4R
SCHEMBL344708 0.82 BACE1 (0.54) KDM4EAKR1C3ALDH1A1PKMPTPN1
SCHEMBL344709 0.82 BACE1 (0.54) KDM4EAKR1C3ALDH1A1PKMPTPN1
SCHEMBL344621 0.82 AKR1C3 (0.52) KDM4ELMNAAKR1C3ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180028484-A1 Use Of 2,5-Dihydroxybenzene Compounds And Derivatives For The Treatment Of Rosacea AmDerma Pharmaceuticals, LLC 2018-02-01 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 (1 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-20180028484-A1 Use Of 2,5-Dihydroxybenzene Compounds And Derivatives For The Treatment Of Rosacea CYP8B1, CYP1B1, CYP26B1 PTGER4 2517/4885PTGER2 1503/4885PTGER3 1728/4885

“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.