SCHEMBL16178482

SCHEMBL16178482

COc1ccc(C2C(C(=O)O)=C(C)N(C)C(C)=C2C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
HSD17B10 Q99714 3/20 0.55
HPGD P15428 4/20 0.54
NPSR1 Q6W5P4 4/20 0.54
KDM4E B2RXH2 3/20 0.54
POLB P06746 1/20 0.51
GAA P10253 3/20 0.50
HTT P42858 1/20 0.49
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
MAOA P21397 1/20 0.42
PTGS2 P35354 1/20 0.42
RAB9A P51151 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42

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
SCHEMBL14987372 0.86 TSHR (0.75) TSHRHSD17B10HPGDNPSR1KDM4E
SCHEMBL16178581 0.83 TSHR (0.53) TSHRHSD17B10HPGDNPSR1KDM4E
SCHEMBL9213028 0.82 TSHR (0.50) TSHRHSD17B10HPGDNPSR1KDM4E
SCHEMBL16178523 0.81 KDM4E (0.66) TSHRHSD17B10HPGDNPSR1KDM4E
SCHEMBL16178557 0.80 TSHR (0.50) TSHRHSD17B10HPGDNPSR1KDM4E
SCHEMBL9217592 0.80 NPSR1 (0.69) TSHRHSD17B10HPGDNPSR1KDM4E
SCHEMBL27517088 0.79 KDM4E (0.68) TSHRHSD17B10HPGDNPSR1KDM4E
SCHEMBL9117834 0.76 TSHR (0.47) TSHRHSD17B10HPGDNPSR1KDM4E
SCHEMBL14986934 0.75 TSHR (0.63) TSHRHSD17B10HPGDNPSR1KDM4E
SCHEMBL11784507 0.74 TSHR (0.54) TSHRHSD17B10HPGDNPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2782573-B1 1,4-DIHYDROPYRIDINE DERIVATIVES WITH HSP MODULATING ACTIVITY RICHTER GEDEON NYRT (HU) 2019-10-09 EP claimed
US-20140315893-A1 1,4- DIHYDROPYRIDINE DERIVATIVES WITH HSP MODULATING ACTIVITY RICHTER GEDEON NYRT. (HU) 2014-10-23 US claimed
US-10660789-B2 1,4-dihydropyridine derivatives with HSP modulating activity RICHTER GEDEON NYRT. (HU) 2020-05-26 US disclosed
EP-2782573-B1 1,4-DIHYDROPYRIDINE DERIVATIVES WITH HSP MODULATING ACTIVITY RICHTER GEDEON NYRT (HU) 2019-10-09 EP disclosed
US-20190192336-A1 1,4-Dihydropyridine Derivatives With HSP Modulating Activity LIPIDART KUTATÓ FEJLESZTO ÉS TANÁCSADÓ KFT. (HU) 2019-06-27 US disclosed
US-10258498-B2 1,4-dihydropyridine derivatives with Hsp modulating activity RICHTER GEDEON NYRT. (HU) 2019-04-16 US disclosed
US-20140315893-A1 1,4- DIHYDROPYRIDINE DERIVATIVES WITH HSP MODULATING ACTIVITY RICHTER GEDEON NYRT. (HU) 2014-10-23 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 (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-20140315893-A1 1,4- DIHYDROPYRIDINE DERIVATIVES WITH HSP MODULATING ACTIVITY HSF1, HSPB1, HSP90AB1 TSHR 3760/4885HSD17B10 1168/4885HPGD 262/4885
US-10258498-B2 1,4-dihydropyridine derivatives with Hsp modulating activity HSF1, HSPB1, HSP90AB1 TSHR 3760/4885HSD17B10 1168/4885HPGD 262/4885
US-10660789-B2 1,4-dihydropyridine derivatives with HSP modulating activity HSF1, HSPB1, HSP90AB1 TSHR 3760/4885HSD17B10 1168/4885HPGD 262/4885
US-20190192336-A1 1,4-Dihydropyridine Derivatives With HSP Modulating Activity HSF1, HSPB1, HSP90AB1 TSHR 3760/4885HSD17B10 1168/4885HPGD 262/4885

“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.