SCHEMBL22032150

SCHEMBL22032150

CCc1cc(CCC=O)ccc1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
GAA P10253 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
HSD17B10 Q99714 3/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CCR6 P51684 1/20 0.37

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
SCHEMBL22032124 0.87 ALDH1A1 (0.40) ALDH1A1HPGDGAAKDM4EMAPT
SCHEMBL607262 0.84 ALDH1A1 (0.50) ALDH1A1HPGDGAAKDM4EMAPT
SCHEMBL7259383 0.83 PPARA (0.44) ALDH1A1HPGDTSHRBACE1PPARG
SCHEMBL31747399 0.82 FFAR4 (0.41) ALDH1A1HPGDGAAKDM4EMAPT
SCHEMBL22032168 0.81 CYP4A11 (0.58) ALDH1A1HPGDGAAKDM4EMAPT
SCHEMBL629251 0.76 KDM4E (0.40) ALDH1A1HPGDGAAKDM4EMAPT
SCHEMBL1151042 0.75 ALDH1A1 (0.64) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL27794429 0.75 LOXL2 (0.46) ALDH1A1HPGDGAAKDM4EMAPT
SCHEMBL211231 0.74 CYP4A11 (0.62) ALDH1A1HPGDGAAKDM4EMAPT
SCHEMBL4036931 0.74 GAA (0.64) ALDH1A1HPGDGAAKDM4EMAPT

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 ALDH1A1 730/4885HPGD 489/4885GAA 1661/4885
US-20220119391-A1 MACROCYCLIC COMPOUND AND USE THEREOF TFAM, KEAP1, CKMT1A; CKMT1B ALDH1A1 714/4885HPGD 478/4885GAA 1817/4885

“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.