SCHEMBL3039101

SCHEMBL3039101

C=CC[C@H](CO)Cc1cc2cc(C)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.49
RAB9A P51151 3/20 0.39
PIN1 Q13526 1/20 0.38
DAO P14920 1/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 3/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FLT3 P36888 2/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
AKR1C3 P42330 2/20 0.34
PCSK9 Q8NBP7 1/20 0.34
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADAM17 P78536 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
SCHEMBL3052891 0.87 LOXL2 (0.56) LOXL2RAB9APIN1DAONPC1
SCHEMBL3047572 0.87 LOXL2 (0.56) LOXL2RAB9APIN1DAONPC1
SCHEMBL3052274 0.77 LOXL2 (0.40) LOXL2RAB9APIN1DAONPC1
SCHEMBL3049889 0.76 LOXL2 (0.39) LOXL2RAB9APIN1DAONPC1
SCHEMBL31065503 0.75 LOXL2 (0.62) LOXL2RAB9APIN1DAONPC1
SCHEMBL11865173 0.73 LOXL2 (0.68) LOXL2RAB9APIN1DAONPC1
SCHEMBL3039103 0.73 HTR2A (0.52) RAB9ASMN1; SMN2PCSK9MAPTNR3C1
SCHEMBL11163173 0.70 LOXL2 (0.68) LOXL2RAB9APIN1DAONPC1
SCHEMBL865051 0.69 LOXL2 (0.72) LOXL2RAB9APIN1DAONPC1
SCHEMBL8296766 0.68 LOXL2 (0.70) LOXL2RAB9APIN1DAONPC1

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-7767645-B2 SH2 domain binding inhibitors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-08-03 US disclosed
US-20080132469-A1 2-{(9S,10S,14R,18S)-7,16,19-Triaza-18-(carbamoylmethyl)-14-[(5-methyl indolyl)methyl]-8,17,20-trioxo-10-[4-(phosphonomethyl)phenyl]spiro[5.14]icos-11-en-9-yl}acetic acid; anticarcinogen GOVERNMENT OF THE UNITED STATES, REPRESENTED BY THE SECRETARY, DEPARTMENT (US) 2008-06-05 US disclosed
US-20050119163-A1 SH2 domain binding inhibitors THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, (US) 2005-06-02 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-20080132469-A1 2-{(9S,10S,14R,18S)-7,16,19-Triaza-18-(carbamoylmethyl)-14-[(5-methyl indolyl)methyl]-8,17,20-trioxo-10-[4-(phosphonomethyl)phenyl]spiro[5.14]icos-11-en-9-yl}acetic acid; anticarcinogen ICOSLG, ICOS, LCK LOXL2 4721/4885RAB9A 1063/4885PIN1 4506/4885
US-20050119163-A1 SH2 domain binding inhibitors GRB2, SRC, LCK LOXL2 4291/4885RAB9A 1485/4885PIN1 2300/4885

“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.