SCHEMBL242386

SCHEMBL242386

Nc1cc(C2OCCO2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.47
ALDH1A1 P00352 8/20 0.41
HSD17B10 Q99714 5/20 0.41
ALOX15 P16050 4/20 0.41
ALOX12 P18054 3/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
PTPN1 P18031 2/20 0.38
ALOX5 P09917 2/20 0.38
GAA P10253 7/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 2/20 0.37
RECQL P46063 2/20 0.37
USP2 O75604 2/20 0.37
PKM P14618 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL3779996 0.93 DRD3 (0.45) DRD3ALDH1A1HSD17B10ALOX15ALOX12
SCHEMBL17320655 0.82 ALOX5 (0.55) ALDH1A1HSD17B10ALOX15HPGDSMN1; SMN2
SCHEMBL4434740 0.78 DRD3 (0.51) DRD3ALDH1A1HSD17B10ALOX15ALOX12
SCHEMBL14086413 0.78 CYP3A4 (0.41) DRD3ALDH1A1HSD17B10ALOX15SMN1; SMN2
SCHEMBL11034392 0.77 MEN1 (0.40) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL17320659 0.77 DRD3 (0.32) DRD3PTPN1ALOX5
SCHEMBL3695721 0.77 HSD17B10 (0.43) HSD17B10SMN1; SMN2PTPN1ALOX5LMNA
SCHEMBL3695981 0.77 ESR1 (0.43) PTPN1ALOX5TDP1YWHAGRAB9A
SCHEMBL1587499 0.77 ALOX15 (0.43) ALDH1A1HSD17B10ALOX15ALOX12SMN1; SMN2
SCHEMBL8010373 0.77 ALOX5 (0.38) PTPN1ALOX5MEN1KMT2AHTT

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584717-B2 MIF modulators YALE UNIVERSITY (US) 2023-02-21 US disclosed
US-11584717-B2 MIF modulators YALE UNIVERSITY (US) 2023-02-21 US disclosed
US-20200377457-A1 MIF MODULATORS UNIV YALE (US) 2020-12-03 US disclosed
US-20200377457-A1 MIF MODULATORS UNIV YALE (US) 2020-12-03 US disclosed
US-20190270706-A1 MIF MODULATORS UNIV YALE (US) 2019-09-05 US disclosed
US-20190270706-A1 MIF MODULATORS UNIV YALE (US) 2019-09-05 US disclosed
US-10202343-B2 MIF modulators YALE UNIVERSITY (US) 2019-02-12 US disclosed
US-10202343-B2 MIF modulators YALE UNIVERSITY (US) 2019-02-12 US disclosed
US-20180162813-A1 MIF MODULATORS YALE UNIVERSITY 2018-06-14 US disclosed
US-20180162813-A1 MIF MODULATORS YALE UNIVERSITY 2018-06-14 US disclosed
US-20120040974-A1 MIF MODULATORS YALE UNIVERSITY (US) 2012-02-16 US disclosed
US-20120004261-A1 MIF MODULATORS YALE UNIVERSITY (US) 2012-01-05 US disclosed
US-20120004261-A1 MIF MODULATORS YALE UNIVERSITY (US) 2012-01-05 US disclosed
US-20120004261-A1 MIF MODULATORS YALE UNIVERSITY (US) 2012-01-05 US disclosed
WO-2011140202-A2 MIF MODULATORS YALE UNIVERSITY (US) 2011-11-10 WO disclosed
CN-102186833-A MIF modulators UNIV YALE 2011-09-14 CN disclosed
US-20100267714-A1 MIF MODULATORS YALE UNIVERSITY 2010-10-21 US disclosed
US-20100267714-A1 MIF MODULATORS YALE UNIVERSITY 2010-10-21 US disclosed
US-20100267714-A1 MIF MODULATORS YALE UNIVERSITY 2010-10-21 US disclosed
WO-2010021693-A2 MIF MODULATORS YALE UNIVERSITY (US) 2010-02-25 WO 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 (8 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-11584717-B2 MIF modulators MIF, HMGB2, HMGB3 DRD3 3654/4885ALDH1A1 584/4885HSD17B10 2284/4885
US-20200377457-A1 MIF MODULATORS MIF, HMGB2, HMGB3 DRD3 3654/4885ALDH1A1 584/4885HSD17B10 2284/4885
US-20180162813-A1 MIF MODULATORS MIF, HMGB2, HMGB3 DRD3 3654/4885ALDH1A1 584/4885HSD17B10 2284/4885
US-20120040974-A1 MIF MODULATORS MIF, HMGB2, HMGB3 DRD3 3654/4885ALDH1A1 584/4885HSD17B10 2284/4885
US-20120004261-A1 MIF MODULATORS MIF, HMGB2, HMGB3 DRD3 3654/4885ALDH1A1 584/4885HSD17B10 2284/4885
US-20100267714-A1 MIF MODULATORS MIF, HMGB2, HMGB3 DRD3 3654/4885ALDH1A1 584/4885HSD17B10 2284/4885
US-10202343-B2 MIF modulators MIF, HMGB2, HMGB3 DRD3 3654/4885ALDH1A1 584/4885HSD17B10 2284/4885
US-20190270706-A1 MIF MODULATORS MIF, HMGB2, HMGB3 DRD3 3654/4885ALDH1A1 584/4885HSD17B10 2284/4885

“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.