SCHEMBL220708

SCHEMBL220708

CCc1cc2ccc(O)cc2oc1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 2/20 0.65
POLB P06746 2/20 0.61
MIF P14174 10/20 0.59
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
KDM4E B2RXH2 4/20 0.59
GLA P06280 4/20 0.59
GAA P10253 4/20 0.59
S1PR4 O95977 2/20 0.59
MAPT P10636 2/20 0.59
S1PR1 P21453 2/20 0.59
PFKFB3 Q16875 1/20 0.58
ESR2 Q92731 1/20 0.57
CA9 Q16790 2/20 0.55
PTGS1 P23219 1/20 0.55
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
NPC1 O15118 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54

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
SCHEMBL30405545 1.00 HSD17B3 (0.65) HSD17B3POLBMIFMEN1KMT2A
SCHEMBL15082511 0.89 HSD17B3 (0.59) HSD17B3POLBMIFMEN1KMT2A
SCHEMBL29066603 0.86 ESR2 (0.61) HSD17B3POLBMIFMEN1KMT2A
SCHEMBL10794446 0.86 MAOA (0.62) HSD17B3POLBKDM4EGLAGAA
SCHEMBL27844746 0.86 GAA (0.58) HSD17B3POLBMIFMEN1KMT2A
SCHEMBL6037595 0.85 POLB (0.59) HSD17B3POLBMIFMEN1KMT2A
SCHEMBL16283606 0.85 POLB (0.59) HSD17B3POLBMIFMEN1KMT2A
SCHEMBL28164061 0.85 POLB (0.59) HSD17B3POLBMIFMEN1KMT2A
SCHEMBL4527127 0.85 HSD17B3 (0.55) HSD17B3POLBMIFMEN1KMT2A
SCHEMBL29913658 0.84 HSD17B3 (0.58) HSD17B3POLBMIFMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174281-B1 Modified nucleotides and uses thereof Singular Genomics Systems, Inc. (US) 2021-11-16 US disclosed
US-10308595-B2 Albicidin derivatives, their use and synthesis Technische Universität Berlin (DE) 2019-06-04 US disclosed
WO-2017179018-A1 TG2 INHIBITOR COMPOUNDS AND USES THEREOF UNIVERSITY OF OTTAWA (CA) 2017-10-19 WO disclosed
US-20160030416-A1 METHODS OF TREATING B2-BRADYKININ RECEPTOR MEDIATED ANGIOEDEMA SHIRE HUMAN GENETIC THERAPIES, INC. 2016-02-04 US disclosed
EP-2968308-A1 METHODS OF TREATING B2-BRADYKININ RECEPTOR MEDIATED ANGIOEDEMA Shire Human Genetic Therapies, Inc. (US) 2016-01-20 EP disclosed
WO-2014159637-A1 METHODS OF TREATING B2-BRADYKININ RECEPTOR MEDIATED ANGIOEDEMA SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2014-10-02 WO disclosed
US-20120004257-A1 NOVEL COMPOUNDS NEUROSEARCH A/S (DK) 2012-01-05 US disclosed
EP-0111746-B1 SULFONIC-ACID ESTERS OF HYDROXYCOUMARINES, THEIR PREPARATION AND MEDICINES CONTAINING THEM BASF Aktiengesellschaft (DE) 1987-09-16 EP disclosed
US-4618622-A ANTIDEPRESSANTS, ANTIALLERGENS BASF AKTIENGESELLSCHAFT (DE) 1986-10-21 US disclosed
EP-0111746-A2 Sulfonic-acid esters of hydroxycoumarines, their preparation and medicines containing them BASF Aktiengesellschaft (DE) 1984-06-27 EP 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 (4 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-10308595-B2 Albicidin derivatives, their use and synthesis MB, ALB, BCAT2 HSD17B3 3924/4885POLB 305/4885MIF 1093/4885
US-20120004257-A1 NOVEL COMPOUNDS SLC18A2, SLC18A3, SLC6A2 HSD17B3 950/4885POLB 1049/4885MIF 2339/4885
US-11174281-B1 Modified nucleotides and uses thereof NUDT1, RNMT, ADAR HSD17B3 4788/4885POLB 88/4885MIF 3412/4885
US-20160030416-A1 METHODS OF TREATING B2-BRADYKININ RECEPTOR MEDIATED ANGIOEDEMA BDKRB2, BDKRB1, HRH2 HSD17B3 1366/4885POLB 3550/4885MIF 4142/4885

“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.