SCHEMBL4286582

SCHEMBL4286582

O=C(Cl)c1ccc(O)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.55
HSP90AB1 P08238 1/20 0.55
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CA2 P00918 3/20 0.47
CA1 P00915 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B1 P14061 2/20 0.45
HSD17B2 P37059 2/20 0.45
ESR2 Q92731 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CA12 O43570 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL1758305 0.84 HSD17B1 (0.59) HSP90AA1HSP90AB1TSHRHSD17B10CA2
SCHEMBL3566736 0.82 TSHR (0.50) HSP90AA1HSP90AB1TSHRHSD17B10CA2
SCHEMBL2649150 0.82 TSHR (0.68) HSP90AA1HSP90AB1TSHRHSD17B10CA2
SCHEMBL184485 0.82 TSHR (0.68) HSP90AA1HSP90AB1TSHRHSD17B10CA2
SCHEMBL11315245 0.82 TSHR (0.50) HSP90AA1HSP90AB1TSHRHSD17B10CA2
SCHEMBL29524547 0.82 TSHR (0.68) HSP90AA1HSP90AB1TSHRHSD17B10CA2
SCHEMBL110094 0.81 TSHR (0.67) TSHRKDM4EPOLBMAPTSRD5A2
SCHEMBL29514652 0.81 TSHR (0.67) TSHRKDM4EPOLBMAPTSRD5A2
SCHEMBL8484882 0.81 CA12 (0.62) CA2CA1KDM4ECA12POLB
Water SCHEMBL10748484 0.81 HSP90AA1 (0.50) HSP90AA1HSP90AB1TSHRHSD17B10CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3951914-A Process for preparing poly(1,4-benzamide) in cyclic sulfone media E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-04-20 US claimed
US-11714080-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2023-08-01 US disclosed
US-11714080-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2023-08-01 US disclosed
US-20210215671-A1 COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS HMI Medical Innovations, LLC 2021-07-15 US disclosed
US-20210215670-A1 COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS HMI Medical Innovations, LLC 2021-07-15 US disclosed
US-10955408-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2021-03-23 US disclosed
US-20200049693-A1 COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS HMI Medical Innovations, LLC 2020-02-13 US disclosed
US-10473643-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2019-11-12 US disclosed
US-10018619-B2 Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2018-07-10 US disclosed
US-10018619-B2 Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2018-07-10 US disclosed
WO-2008091681-A2 THERAMUTEIN MODULATORS HOUSEY GERARD M (US) 2008-07-31 WO disclosed
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 US disclosed
US-20070111199-A1 Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC 2007-05-17 US disclosed
US-20070111199-A1 Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC 2007-05-17 US disclosed
US-4645771-A ANTICOAGULANT IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-24 US disclosed
US-4388246-A THERMAL SPLITTING OF CARBAMATES BAYER AKTIENGESELLSCHAFT (DE) 1983-06-14 US disclosed
EP-0004727-B1 BLOOD PLATELET AGGREGATION INHIBITORY PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND PROCESSES FOR THEIR MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-08-12 EP disclosed
EP-0004727-A2 Blood platelet aggregation inhibitory pyridine derivatives, pharmaceutical compositions thereof, and processes for their manufacture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-10-17 EP disclosed
US-3991016-A Poly(1,4-benzamide) copolymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-11-09 US disclosed
US-3951914-A Process for preparing poly(1,4-benzamide) in cyclic sulfone media E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-04-20 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 (1 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-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 HSP90AA1 3485/4885HSP90AB1 3329/4885TSHR 3482/4885

“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.