SCHEMBL25544600

SCHEMBL25544600

Cc1ccc2cc(C3CCOCC3)oc(=O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.41
PARP14 Q460N5 1/20 0.39
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PRKDC P78527 1/20 0.37
BRD4 O60885 2/20 0.36
CREBBP Q92793 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
PTK2B Q14289 1/20 0.34
CYP1B1 Q16678 1/20 0.34
TSHR P16473 1/20 0.34
RORC P51449 1/20 0.34
IRAK4 Q9NWZ3 1/20 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
SCHEMBL31035561 0.77 RORC (0.49) HSD17B10NPC1RAB9APRKDCALDH1A1
SCHEMBL25556294 0.73 MAOB (0.49) PARP14HSD17B10NPC1RAB9APRKDC
SCHEMBL25544674 0.72 PARP14 (0.37) ELANEPARP14HSD17B10NPC1RAB9A
SCHEMBL19793345 0.71 ELANE (0.53) ELANEALDH1A1KDM4ELMNAMAPT
SCHEMBL12958021 0.68 ELANE (0.50) ELANEHSD17B10ALDH1A1KDM4ELMNA
SCHEMBL28045518 0.67 CYP1B1 (0.59) ELANENPC1RAB9AALDH1A1KDM4E
SCHEMBL31035466 0.67 CYP1B1 (0.38) PRKDCKMT2ACYP1B1RORC
SCHEMBL12369534 0.65 CHRM2 (0.50) ALDH1A1
SCHEMBL28923758 0.65 ELANE (0.46) ELANEHSD17B10NPC1RAB9AALDH1A1
SCHEMBL25762789 0.65 ACHE (0.44) HSD17B10NPC1RAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 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-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 ELANE 73/4885PARP14 1621/4885HSD17B10 815/4885

“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.