SCHEMBL19737437

SCHEMBL19737437

Cc1cccc2[nH]c(C(C)C)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.50
DDO Q99489 1/20 0.50
KIF11 P52732 3/20 0.44
DHFR P00374 1/20 0.42
SLC2A1 P11166 1/20 0.42
FLT3 P36888 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
CYP2A6 P11509 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
ABL1 P00519 1/20 0.38
SRC P12931 1/20 0.38
VDR P11473 1/20 0.36
AHR P35869 1/20 0.35

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
SCHEMBL24741123 0.81 DAO (0.44) DAODDOKIF11FLT3CYP1A2
SCHEMBL24371171 0.81 DHFR (0.42) DAOKIF11DHFRSLC2A1CYP1A2
SCHEMBL24447564 0.79 RHEB (0.42) KIF11DHFRSLC2A1FLT3ALDH1A1
SCHEMBL16380970 0.79 DAO (0.49) DAOKIF11DHFRSLC2A1FLT3
SCHEMBL16380895 0.79 DHFR (0.48) KIF11DHFRSLC2A1ALDH1A1HPGD
SCHEMBL16380899 0.79 DAO (0.49) DAODDOKIF11DHFRSLC2A1
SCHEMBL24236481 0.77 MEN1 (0.50) DHFRSLC2A1FLT3MEN1MAPT
SCHEMBL27017825 0.77 DAO (0.55) DAODDOKIF11DHFRSLC2A1
SCHEMBL21151024 0.77 KIF11 (0.49) KIF11DHFRSLC2A1CYP1A2CYP2C19
SCHEMBL27022285 0.77 DHFR (0.39) KIF11DHFRSLC2A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-09-28 US disclosed
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections THE SCRIPPS RESEARCH INSTITUTE (US) 2023-07-25 US disclosed
US-20210040087-A1 SOMATOSTATIN MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-02-11 US disclosed
US-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 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 (4 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-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 DAO 297/4885DDO 873/4885KIF11 1469/4885
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE FUS, TFEB, CLN6 DAO 4321/4885DDO 2857/4885KIF11 1125/4885
US-20210040087-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 DAO 2163/4885DDO 2445/4885KIF11 4324/4885
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections ACE, ACE2, TMPRSS2 DAO 328/4885DDO 150/4885KIF11 4094/4885

“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.