SCHEMBL8354541

SCHEMBL8354541

CC(C)(C)c1cc(F)c(Oc2ccc(F)cc2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
RAB9A P51151 2/20 0.40
DHODH Q02127 1/20 0.39
KDM4E B2RXH2 1/20 0.36
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
XBP1 P17861 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SOS1 Q07889 1/20 0.34
HSPB1 P04792 1/20 0.34
KCNH2 Q12809 1/20 0.34
LMNA P02545 2/20 0.34
ESR1 P03372 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
SCHEMBL24998742 0.86 RAB9A (0.42) ALDH1A1HPGDNPC1MAPTMAPK1
SCHEMBL11989282 0.86 PPARG (0.40) ALDH1A1HPGDNPC1MAPTMAPK1
SCHEMBL11989285 0.86 MAPT (0.38) ALDH1A1HPGDNPC1MAPTMAPK1
SCHEMBL11989251 0.85 LTA4H (0.39) ALDH1A1HPGDNPC1MAPTMAPK1
SCHEMBL25000151 0.84 SOS1 (0.40) ALDH1A1HPGDNPC1MAPTMAPK1
SCHEMBL11748713 0.81 NPC1 (0.47) ALDH1A1HPGDNPC1MAPTMAPK1
SCHEMBL25000152 0.81 P2RY1 (0.38) ALDH1A1HPGDMAPTKDM4EPTGS2
SCHEMBL24999532 0.80 SLC6A4 (0.42) ALDH1A1HPGDMAPTKMT2AKCNH2
SCHEMBL11989262 0.80 MAOB (0.41) ALDH1A1HPGDNPC1MAPTMAPK1
SCHEMBL11989280 0.79 HSPB1 (0.46) ALDH1A1HPGDNPC1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230044787-A1 TRICYCLE DIHYDROIMIDAZOPYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI SIMRD BIOTECHNOLOGY CO., LTD. (CN) 2023-02-09 US disclosed
US-8247451-B2 ADAM10 and its uses related to infection VANDERBILT UNIVERSITY (US) 2012-08-21 US disclosed
US-8247451-B2 ADAM10 and its uses related to infection VANDERBILT UNIVERSITY (US) 2012-08-21 US disclosed
US-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 US disclosed
US-20090220514-A1 ADAM10 and its Uses Related to Infection VANDERBILT UNIVERSITY 2009-09-03 US disclosed
US-20090220514-A1 ADAM10 and its Uses Related to Infection VANDERBILT UNIVERSITY 2009-09-03 US disclosed
US-20090143386-A1 Human adam-10 inhibitors EXELIXIS, INC. 2009-06-04 US disclosed
US-7498358-B2 e.g. N1-hydroxy-N2-[(4-phenoxyphenyl)sulfonyl]-D-argininamide; metallopeptidase inhibitor; antiinflammation, anticarcinogenic, antidiabetic agent; angiogenesis inhibitor; atherosclerosis, stroke, ulcer, infertility, scleroderma, endometriosis, mesothelioma EXELIXIS, INC. (US) 2009-03-03 US disclosed
WO-2003051825-A1 HUMAN ADAM-10 INHIBITORS EXELIXIS, INC. (US) 2003-06-26 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 (3 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-20230044787-A1 TRICYCLE DIHYDROIMIDAZOPYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF LYPLAL1, LYPLA1, LYPLA2 ALDH1A1 846/4885HPGD 334/4885NPC1 729/4885
US-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 ALDH1A1 4310/4885HPGD 3653/4885NPC1 2394/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 ALDH1A1 846/4885HPGD 2388/4885NPC1 1986/4885

“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.