SCHEMBL2979640

SCHEMBL2979640

O=Cc1ccc(F)c(C2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.36
PTGS2 P35354 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2A6 P11509 4/20 0.35
KIF11 P52732 1/20 0.35
TSHR P16473 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ALDH1A3 P47895 2/20 0.33
KDM1A O60341 2/20 0.32
KDM1B Q8NB78 1/20 0.32
AKR1A1 P14550 1/20 0.31
AKR1B1 P15121 1/20 0.31

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
SCHEMBL29955837 1.00 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KDM4EPTGS2RAB9A
SCHEMBL3586405 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EPTGS2RAB9A
SCHEMBL26428565 0.84 CHRNB2 (0.43) ALDH1A1SMN1; SMN2KDM4EPTGS2RAB9A
SCHEMBL16958394 0.81 ALDH1A1 (0.37) ALDH1A1TDP1KDM1AKDM1B
SCHEMBL16951375 0.81 KDM1A (0.32) KDM1AKDM1B
SCHEMBL24666020 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EPTGS2RAB9A
SCHEMBL29820680 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EPTGS2RAB9A
SCHEMBL16056266 0.78 PTGS1 (0.45) ALDH1A1SMN1; SMN2KDM4EPTGS2KIF11
SCHEMBL8250780 0.77 KDM4E (0.55) ALDH1A1KDM4EPTGS2RAB9AHSD17B10
SCHEMBL26049082 0.77 ALDH1A1 (0.42) ALDH1A1KDM4EPTGS2RAB9AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492437-B2 4-substituted phenoxyphenylacetic acid derivatives ARRAY BIOPHARMA INC. (US) 2013-07-23 US disclosed
EP-2057115-B9 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2012-12-26 EP disclosed
EP-2057115-B1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2012-10-03 EP disclosed
US-20120202854-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-08-09 US disclosed
US-8183289-B2 4-substituted phenoxyphenylacetic acid derivatives ARRAY BIOPHARMA INC. (US) 2012-05-22 US disclosed
US-20100173955-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2010-07-08 US disclosed
US-7674810-B2 1,1-dioxo-1H-1Λ6-benzo[d]isothiazol-3-yl)-4-hydroxy-1,5-dihydro-pyrrol-2-one inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2010-03-09 US disclosed
CN-101553461-A 4-substituted phenoxyphenylacetic acid derivatives ARRAY BIOPHARMA INC (US) 2009-10-07 CN disclosed
EP-2057115-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES Array Biopharma, Inc. (US) 2009-05-13 EP disclosed
CN-101189230-A Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (CH) 2008-05-28 CN disclosed
WO-2008024746-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA, INC. (US) 2008-02-28 WO disclosed
EP-1879885-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2008-01-23 EP disclosed
WO-2006117306-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-11-09 WO disclosed
US-20060252785-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-11-09 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-20060252785-A1 Heterocyclic antiviral compounds EIF2AK2, HAVCR2, POLR2E ALDH1A1 431/4885SMN1; SMN2 3231/4885KDM4E 2075/4885
US-20100173955-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES CD22, HRH2, CD74 ALDH1A1 610/4885SMN1; SMN2 3361/4885KDM4E 1078/4885
US-20120202854-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES CD22, HRH2, CD74 ALDH1A1 610/4885SMN1; SMN2 3361/4885KDM4E 1078/4885

“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.