SCHEMBL4430768

SCHEMBL4430768

OCc1cccc(Cc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
CALM1 P0DP23 1/20 0.57
IDH1 O75874 2/20 0.54
PRSS1 P07477 2/20 0.52
PRSS2 P07478 2/20 0.52
PRSS3 P35030 2/20 0.52
ENPP2 Q13822 1/20 0.48
CFTR P13569 1/20 0.47
BCL2 P10415 1/20 0.46
BCL2L1 Q07817 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
HNF4A P41235 1/20 0.46
PRKCI P41743 1/20 0.44
SLC5A2 P31639 1/20 0.44
DAO P14920 1/20 0.43
ACMSD Q8TDX5 1/20 0.43

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
SCHEMBL9999688 0.93 ENPP2 (0.54) TSHRCALM1IDH1PRSS1PRSS2
SCHEMBL11576495 0.91 TSHR (0.52) TSHRCALM1IDH1PRSS1PRSS2
SCHEMBL13971231 0.87 CALM1 (0.75) CALM1IDH1PRSS1PRSS2PRSS3
SCHEMBL7613502 0.87 CALM1 (0.75) CALM1IDH1PRSS1PRSS2PRSS3
SCHEMBL123838 0.84 TSHR (0.61) TSHRPRSS1PRSS2PRSS3ENPP2
Hydrochloric Acid SCHEMBL2068170 0.84 IDH1 (0.44) TSHRCALM1IDH1PRSS1PRSS2
SCHEMBL12782166 0.83 IDH1 (0.42) TSHRCALM1IDH1PRSS1PRSS2
SCHEMBL8713097 0.83 ENPP2 (0.42) TSHRCALM1IDH1PRSS1PRSS2
SCHEMBL12002732 0.83 IDH1 (0.42) TSHRCALM1IDH1PRSS1PRSS2
SCHEMBL27299642 0.83 SLC5A2 (0.49) TSHRIDH1PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11629155-B2 Small molecule antagonist compound TAC5 series having toll-like receptor 3/7/8/9 inhibitory function AJOU UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2023-04-18 US disclosed
US-20210214372-A1 SMALL MOLECULE ANTAGONIST COMPOUND TAC5 SERIES HAVING TOLL-LIKE RECEPTOR 3/7/8/9 INHIBITORY FUNCTION AJOU UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2021-07-15 US disclosed
US-20210214372-A1 SMALL MOLECULE ANTAGONIST COMPOUND TAC5 SERIES HAVING TOLL-LIKE RECEPTOR 3/7/8/9 INHIBITORY FUNCTION AJOU UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2021-07-15 US disclosed
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 US disclosed
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-24 US disclosed
US-9856278-B2 Lysophosphatidylserine derivative THE UNIVERSITY OF TOKYO (JP) 2018-01-02 US disclosed
US-9828338-B2 Carbamate derivatives of lactam based N-acylethanolamine acid amidase (NAAA) inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-28 US disclosed
US-20170210767-A1 LYSOPHOSPHATIDYLSERINE DERIVATIVE THE UNIVERSITY OF TOKYO (JP) 2017-07-27 US disclosed
WO-2017040449-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO disclosed
US-20160068482-A1 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-03-10 US disclosed
US-4622337-A INSECTICIDES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-11-11 US disclosed
US-4464391-A Pesticides NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-08-07 US disclosed
EP-0095636-A1 N-substituted imino esters, process for their preparation and their use in pesticides BAYER AG (DE) 1983-12-07 EP disclosed
US-4411912-A Insecticidal isovaleric acid esters ZOECON CORPORATION (US) 1983-10-25 US disclosed
US-4327109-A INSECTICIDES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1982-04-27 US disclosed
US-4243819-A Substituted amino acids ZOECON CORPORATION (US) 1981-01-06 US disclosed
US-4229469-A Insecticidal alkadienylcyclopropanecarboxylates SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1980-10-21 US disclosed
US-4113968-A FROM A 1-HALO-3-ALKENE-2-OL KURARAY CO., LTD. (JP) 1978-09-12 US disclosed
US-3998868-A INSECTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-12-21 US disclosed
US-3954814-A INSECTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-05-04 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 (6 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-20160068482-A1 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS NAAA, FAAH, FAAH2 TSHR 4069/4885CALM1 2771/4885IDH1 2951/4885
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 TSHR 2587/4885CALM1 3804/4885IDH1 1331/4885
US-20170210767-A1 LYSOPHOSPHATIDYLSERINE DERIVATIVE LPAR3, LPAR1, LPAR4 TSHR 526/4885CALM1 2248/4885IDH1 4182/4885
US-11629155-B2 Small molecule antagonist compound TAC5 series having toll-like receptor 3/7/8/9 inhibitory function TLR5, TLR8, TLR9 TSHR 617/4885CALM1 2892/4885IDH1 4492/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 TSHR 2587/4885CALM1 3804/4885IDH1 1331/4885
US-20210214372-A1 SMALL MOLECULE ANTAGONIST COMPOUND TAC5 SERIES HAVING TOLL-LIKE RECEPTOR 3/7/8/9 INHIBITORY FUNCTION TLR5, TLR8, TLR9 TSHR 617/4885CALM1 2892/4885IDH1 4492/4885

“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.