SCHEMBL11990102

SCHEMBL11990102

CCc1cc(F)c(Oc2ccc3c(c2)OCO3)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 2/20 0.48
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MAOB P27338 8/20 0.44
MAOA P21397 4/20 0.43
MAPT P10636 3/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL779077 0.84 ALDH1A1 (0.51) MAPK1ALDH1A1RAB9ANPC1MAOB
SCHEMBL11990098 0.83 NPC1 (0.47) MAPK1ALDH1A1RAB9ANPC1MAOB
SCHEMBL13604916 0.81 ALDH1A1 (0.43) MAPK1ALDH1A1RAB9ANPC1MAOB
SCHEMBL6863046 0.81 MAPK1 (0.51) MAPK1ALDH1A1RAB9ANPC1MAOB
SCHEMBL11989287 0.80 ALDH1A1 (0.48) MAPK1ALDH1A1RAB9ANPC1MAOB
SCHEMBL13803829 0.80 ALDH1A1 (0.51) MAPK1ALDH1A1RAB9ANPC1MAOB
SCHEMBL13922732 0.75 LMNA (0.40) MAOBMAPTPKMKMT2AMEN1
SCHEMBL6165864 0.74 ALDH1A1 (0.78) MAPK1ALDH1A1RAB9ANPC1MAOB
SCHEMBL12653307 0.72 ALOX15 (0.40) ALDH1A1RAB9ANPC1MAPTHPGD
SCHEMBL12653306 0.72 NPC1 (0.50) MAPK1ALDH1A1RAB9ANPC1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 MAPK1 2110/4885ALDH1A1 4310/4885RAB9A 661/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 MAPK1 3572/4885ALDH1A1 846/4885RAB9A 1471/4885

“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.