SCHEMBL828491

SCHEMBL828491

O=C(Cl)c1ccc2c(c1)OCCO2

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
KDM4E B2RXH2 4/20 0.61
ATM Q13315 1/20 0.61
HPGD P15428 2/20 0.57
PKM P14618 1/20 0.57
CTNNB1 P35222 3/20 0.56
RECQL P46063 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAPT P10636 1/20 0.56
MAOB P27338 2/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
WNT3A P56704 1/20 0.54
MAPK1 P28482 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
SCHEMBL18101284 0.94 KDM4E (0.70) TSHRKDM4EATMHPGDPKM
SCHEMBL18101244 0.94 KDM4E (0.70) TSHRKDM4EATMHPGDPKM
SCHEMBL18101240 0.94 KDM4E (0.70) TSHRKDM4EATMHPGDPKM
SCHEMBL18101248 0.94 KDM4E (0.70) TSHRKDM4EATMHPGDPKM
SCHEMBL1189145 0.92 NPC1 (0.63) TSHRKDM4EATMHPGDPKM
SCHEMBL144609 0.88 ALDH1A1 (0.69) TSHRHPGDPKMCTNNB1NPSR1
SCHEMBL4824992 0.83 NPSR1 (0.74) TSHRKDM4EATMHPGDPKM
SCHEMBL619634 0.82 MAPK1 (0.78) TSHRKDM4EATMHPGDPKM
SCHEMBL1535157 0.81 ATM (0.72) TSHRKDM4EATMHPGDPKM
SCHEMBL624490 0.80 TSHR (1.00) TSHRKDM4EATMHPGDPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11220498-B2 Neuroprotective aminothiazoles DAHL RUSSELL (US) 2022-01-11 US disclosed
WO-2021022061-A1 ARYL HYDROCARBON RECEPTOR ACTIVATORS OREGON STATE UNIVERSITY (US) 2021-02-04 WO disclosed
EP-2906216-B1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS KUMAR AJAY (GB) 2020-06-24 EP disclosed
US-20200190078-A1 NEUROPROTECTIVE AMINOTHIAZOLES DAHL RUSSELL (US) 2020-06-18 US disclosed
EP-2781508-B9 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS KBP BIOSCIENCES CO LTD (CN) 2019-08-21 EP disclosed
EP-2781508-B9 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS KBP BIOSCIENCES CO LTD (CN) 2019-08-21 EP disclosed
EP-2781508-B1 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS KBP BIOSCIENCES CO LTD (CN) 2018-12-12 EP disclosed
US-10000521-B2 Substituted gemcitabine bicyclic amide analogs and treatment methods using same NUCORION PHARMACEUTICALS, INC. (US) 2018-06-19 US disclosed
US-10000521-B2 Substituted gemcitabine bicyclic amide analogs and treatment methods using same NUCORION PHARMACEUTICALS, INC. (US) 2018-06-19 US disclosed
US-10000521-B2 Substituted gemcitabine bicyclic amide analogs and treatment methods using same NUCORION PHARMACEUTICALS, INC. (US) 2018-06-19 US disclosed
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2006-05-18 US disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 WO disclosed
US-20050215603-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES 2005-09-29 US disclosed
US-20050209249-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-09-22 US disclosed
WO-2005004818-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2005-01-20 WO disclosed
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-5332735-A Antiamnesic activity ADIR ET COMPAGNIE (FR) 1994-07-26 US disclosed
US-4937246-A ABSORBED EASILY FROM INTESTINES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-06-26 US disclosed
EP-0318235-A2 PAF antagonist, 1,4-disubstituted piperazine compounds and production thereof Takeda Chemical Industries, Ltd. (JP) 1989-05-31 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 (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-20200190078-A1 NEUROPROTECTIVE AMINOTHIAZOLES PINK1, PSEN1, UCHL1 TSHR 4402/4885KDM4E 1211/4885ATM 298/4885
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 TSHR 738/4885KDM4E 4797/4885ATM 4220/4885
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 TSHR 800/4885KDM4E 4690/4885ATM 4415/4885
US-11220498-B2 Neuroprotective aminothiazoles PINK1, PSEN1, UCHL1 TSHR 4402/4885KDM4E 1211/4885ATM 298/4885
US-20050209249-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 TSHR 3528/4885KDM4E 1188/4885ATM 3169/4885
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, PTGDR, LTB4R2 TSHR 922/4885KDM4E 4782/4885ATM 4490/4885
US-10000521-B2 Substituted gemcitabine bicyclic amide analogs and treatment methods using same TYMP, POLI, GOT1 TSHR 3185/4885KDM4E 2005/4885ATM 845/4885
US-20050215603-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 TSHR 3528/4885KDM4E 1188/4885ATM 3169/4885

“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.