SCHEMBL7037031

SCHEMBL7037031

CC(C)(C)[C@](C)(C(=O)O)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.46
XBP1 P17861 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
KCNN4 O15554 8/20 0.45
HSD11B1 P28845 1/20 0.40
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
KCNE1 P15382 1/20 0.38
KCNQ1 P51787 1/20 0.38
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36

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
SCHEMBL7044103 0.81 ESR1 (0.50) HPGD
SCHEMBL3726386 0.80 CYP1A2 (0.54) KMT2AMAPTMAPK1KCNN4CES1
SCHEMBL6349689 0.79 KMT2A (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A
Hydrogen Sulfide SCHEMBL28077889 0.79 ESR1 (0.48) HPGD
SCHEMBL28727502 0.78 CYP1A2 (0.52) MEN1KMT2AMAPTMAPK1KCNN4
SCHEMBL27609150 0.78 NPC1 (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1421745 0.78 APP (0.49) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7694323 0.78 NPC1 (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL28938751 0.78 CYP1A2 (0.52) KMT2AMAPTMAPK1KCNN4CES1
SCHEMBL19182935 0.77 MEN1 (0.47) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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-9273009-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-20140155444-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2014-06-05 US disclosed
US-8575361-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS INC. (US) 2013-11-05 US disclosed
US-8513434-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS INC. (US) 2013-08-20 US disclosed
US-20120122944-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2012-05-17 US disclosed
US-20110237635-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2011-09-29 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 (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-20140155444-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G MEN1 865/4885KMT2A 2661/4885SMN1; SMN2 804/4885
US-20120122944-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G MEN1 865/4885KMT2A 2661/4885SMN1; SMN2 804/4885
US-20110237635-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G MEN1 865/4885KMT2A 2661/4885SMN1; SMN2 804/4885

“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.