SCHEMBL9869462

SCHEMBL9869462

C=CCc1c(Br)ccc(C(=O)OC)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
MAPT P10636 4/20 0.38
MITF O75030 1/20 0.38
KDM4E B2RXH2 6/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
GLA P06280 2/20 0.33

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
SCHEMBL31441187 1.00 CA12 (0.38) CA12CA1CA2CA7CA9
SCHEMBL22032210 0.88 CA12 (0.38) CA12CA1CA2CA7CA9
SCHEMBL3961509 0.85 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL9867697 0.84 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL7266894 0.84 ABL1 (0.40) CA12CA1CA2CA7CA9
SCHEMBL3956835 0.82 MEN1 (0.45) MAPTKDM4EMEN1HTTKMT2A
SCHEMBL10741043 0.81 ERN1 (0.42) MAPTKDM4EMEN1HTTKMT2A
SCHEMBL9867637 0.81 KDM4E (0.42) CA12CA1CA2CA7CA9
SCHEMBL19730514 0.79 ALDH1A1 (0.37) CA12CA1CA2CA7CA9
SCHEMBL2964830 0.79 SMN1; SMN2 (0.43) CA12CA1CA2CA7CA9

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 9 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
US-5006570-A Dihydrobenzofuran- and chroman-carboxamide derivatives, processes for the preparation thereof and use thereof as neuroleptics LABORATOIRES DELAGRANGE (FR) 1991-04-09 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 (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 CA12 4266/4885CA1 4500/4885CA2 4163/4885
US-20220119391-A1 MACROCYCLIC COMPOUND AND USE THEREOF TFAM, KEAP1, CKMT1A; CKMT1B CA12 4263/4885CA1 4436/4885CA2 4132/4885

“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.