SCHEMBL19997207

SCHEMBL19997207

CCOc1ccc2oc(C)c(C(=O)CC)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
MAPK1 P28482 3/20 0.60
TSHR P16473 2/20 0.60
LMNA P02545 1/20 0.60
KDM4E B2RXH2 5/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
POLB P06746 2/20 0.58
HIF1A Q16665 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAPT P10636 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
PTGS2 P35354 4/20 0.56
HPGD P15428 3/20 0.56
RECQL P46063 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55

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
SCHEMBL17324785 0.87 CASP3 (0.70) ALDH1A1MAPK1TSHRLMNAKDM4E
SCHEMBL3976556 0.87 SLC26A4 (0.69) ALDH1A1MAPK1TSHRLMNAKDM4E
SCHEMBL15897872 0.84 MEN1 (0.60) ALDH1A1MAPK1TSHRLMNAKDM4E
SCHEMBL31474441 0.76 ALDH1A1 (0.71) ALDH1A1MAPK1TSHRLMNAKDM4E
SCHEMBL26676588 0.76 ALDH1A1 (0.71) ALDH1A1MAPK1TSHRLMNAKDM4E
SCHEMBL26676662 0.76 ALDH1A1 (0.75) ALDH1A1MAPK1TSHRLMNAKDM4E
SCHEMBL28654740 0.75 PTGS2 (0.85) ALDH1A1MAPK1TSHRLMNAKDM4E
SCHEMBL26676560 0.75 ALDH1A1 (0.69) ALDH1A1MAPK1TSHRLMNAKDM4E
SCHEMBL26676557 0.75 ALDH1A1 (0.70) ALDH1A1MAPK1TSHRLMNAKDM4E
SCHEMBL30664734 0.75 ALDH1A1 (0.69) ALDH1A1MAPK1TSHRLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-20 US disclosed
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-14 US disclosed
US-9926282-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-27 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-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 ALDH1A1 2535/4885MAPK1 143/4885TSHR 3712/4885
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors MYLK, MYLK2, ROCK1 ALDH1A1 2535/4885MAPK1 143/4885TSHR 3712/4885

“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.