SCHEMBL22032130

SCHEMBL22032130

CCOC(=O)c1ccc(I)c2c1CC(C)(C)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
ALDH1A1 P00352 10/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 5/20 0.37
KDM4E B2RXH2 5/20 0.37
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
RECQL P46063 1/20 0.35
GAA P10253 2/20 0.35

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
SCHEMBL17535601 0.84 TSHR (0.41) TSHRCA12CA1CA2CA7
SCHEMBL6677172 0.76 TSHR (0.50) TSHRCA12CA1CA2CA7
SCHEMBL22032209 0.74 LMNA (0.36) CA12CA1CA2CA7CA9
SCHEMBL9983562 0.74 ALDH1A1 (0.42) TSHRCA12CA1CA2CA7
SCHEMBL2434076 0.73 LMNA (0.52) TSHRALDH1A1POLBKDM4EMAPT
SCHEMBL20956443 0.72 TSHR (0.47) TSHRCA12CA1CA2CA7
SCHEMBL5035926 0.71 KDM4E (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL12035997 0.70 ALDH1A1 (0.44) TSHRCA12CA1CA2CA7
SCHEMBL21954934 0.70 EZH2 (0.39) TSHRCA12CA1CA2CA7
SCHEMBL22032240 0.70 CA12 (0.41) TSHRCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11518763-B2 Macrocyclic compound and use thereof SCOHIA PHARMA, INC. (JP) 2022-12-06 US disclosed
US-11518763-B2 Macrocyclic compound and use thereof SCOHIA PHARMA, INC. (JP) 2022-12-06 US disclosed
US-20220119391-A1 MACROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2022-04-21 US disclosed
US-20220119391-A1 MACROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2022-04-21 US disclosed
EP-3890738-A1 MACROCYCLIC COMPOUND AND USE THEREOF Scohia Pharma, Inc. (JP) 2021-10-13 EP disclosed
CN-113164468-A Macrocyclic compounds and uses thereof 思可海雅药品公司 2021-07-23 CN disclosed
WO-2020116660-A1 MACROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2020-06-11 WO disclosed
WO-2020116660-A1 MACROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2020-06-11 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 (2 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-11518763-B2 Macrocyclic compound and use thereof TFAM, KEAP1, FASTKD1 TSHR 4308/4885CA12 4266/4885CA1 4500/4885
US-20220119391-A1 MACROCYCLIC COMPOUND AND USE THEREOF TFAM, KEAP1, CKMT1A; CKMT1B TSHR 4365/4885CA12 4263/4885CA1 4436/4885

“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.