SCHEMBL14922690

SCHEMBL14922690

Cc1cc2c(cc1/C=C/C(=O)O)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.54
CYP1A2 P05177 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 5/20 0.44
GAA P10253 1/20 0.44
GLA P06280 1/20 0.41
ATM Q13315 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
NFKB1 P19838 1/20 0.40
CA4 P22748 1/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL30302255 1.00 AR (0.54) ARCYP1A2HSD17B10ALDH1A1KMT2A
SCHEMBL20439669 0.83 ALDH1A1 (0.61) ARCYP1A2HSD17B10ALDH1A1KMT2A
SCHEMBL23727631 0.81 KDM4E (0.51) ARCYP1A2HSD17B10ALDH1A1KMT2A
SCHEMBL23727633 0.81 KDM4E (0.51) ARCYP1A2HSD17B10ALDH1A1KMT2A
SCHEMBL27273810 0.80 ESR1 (0.46) CYP1A2HSD17B10ALDH1A1KDM4EGAA
SCHEMBL30970390 0.80 ESR1 (0.46) CYP1A2HSD17B10ALDH1A1KDM4EGAA
SCHEMBL6111999 0.80 KDM4E (0.54) ARCYP1A2HSD17B10ALDH1A1KMT2A
SCHEMBL7308321 0.80 KDM4E (0.54) ARCYP1A2HSD17B10ALDH1A1KMT2A
SCHEMBL30968144 0.80 KDM4E (0.54) ARCYP1A2HSD17B10ALDH1A1KMT2A
SCHEMBL24162249 0.79 ALDH1A1 (0.46) ARALDH1A1KDM4EGAAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024521-B2 Isoquinoline derivatives, methods of synthesis and uses thereof PROSETTA BIOSCIENCES, INC. (US) 2024-07-02 US disclosed
US-12024521-B2 Isoquinoline derivatives, methods of synthesis and uses thereof PROSETTA BIOSCIENCES, INC. (US) 2024-07-02 US disclosed
WO-2022006228-A1 ISOQUINOLINE DERIVATIVES, METHODS OF SYNTHESIS AND USES THEREOF PROSETTA BIOSCIENCES, INC. (US) 2022-01-06 WO disclosed
US-20210403477-A1 Isoquinoline Derivatives, Methods of Synthesis and Uses Thereof PROSETTA BIOSCIENCES, INC. 2021-12-30 US disclosed
WO-2018140876-A1 NRF2 ACTIVATOR BIOGEN MA INC. (US) 2018-08-02 WO disclosed
US-8436013-B2 Compounds and methods for treatment of alpha-1 antitrypsin deficiency UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-05-07 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-12024521-B2 Isoquinoline derivatives, methods of synthesis and uses thereof POLRMT, MAVS, SYNCRIP AR 4522/4885CYP1A2 1270/4885HSD17B10 2988/4885
US-20210403477-A1 Isoquinoline Derivatives, Methods of Synthesis and Uses Thereof POLRMT, MAVS, SYNCRIP AR 4522/4885CYP1A2 1270/4885HSD17B10 2988/4885

“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.