SCHEMBL15948469

SCHEMBL15948469

CC(=O)CCC(=O)/C=C/c1ccc(C)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.75
▸ KMT2A Q03164 1/20 0.75
▸ FOS P01100 1/20 0.54
▸ JUN P05412 1/20 0.54
▸ MAPT P10636 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ TRPM8 Q7Z2W7 2/20 0.49
▸ SLC5A1 P13866 1/20 0.49
▸ SLC5A2 P31639 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ MAOB P27338 3/20 0.47
▸ MAOA P21397 2/20 0.47
▸ AKR1B10 O60218 1/20 0.47
▸ AKR1B1 P15121 1/20 0.47

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
SCHEMBL8775394 0.86 RAB9A (1.00) RAB9AKMT2AFOSJUNMAPT
SCHEMBL8775882 0.86 RAB9A (1.00) RAB9AKMT2AFOSJUNMAPT
SCHEMBL11682645 0.84 ALDH1A1 (0.73) RAB9AKMT2AMAPTALDH1A1NPC1
SCHEMBL28422931 0.84 RAB9A (0.72) RAB9AKMT2AFOSJUNMAPT
SCHEMBL20273252 0.84 RAB9A (0.72) RAB9AKMT2AFOSJUNMAPT
SCHEMBL10350416 0.84 RAB9A (0.62) RAB9AKMT2AFOSJUNMAPT
SCHEMBL11682651 0.84 ALDH1A1 (0.73) RAB9AKMT2AMAPTALDH1A1NPC1
SCHEMBL27832637 0.84 RAB9A (0.72) RAB9AKMT2AFOSJUNMAPT
SCHEMBL12313553 0.83 RAB9A (0.71) RAB9AKMT2AFOSJUNMAPT
SCHEMBL22060467 0.83 RAB9A (0.70) RAB9AKMT2AFOSJUNMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2953457-B1 ERK INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2020-04-08 — — EP disclosed
US-9796700-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-10-24 — — US disclosed
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-07-27 — — US disclosed
US-20170137406-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-05-18 — — US disclosed
US-9561228-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-02-07 — — US disclosed
US-9504686-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-11-29 — — US disclosed
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-03-24 — — US disclosed
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-01-07 — — US disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 — — US disclosed
US-9145387-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-09-29 — — US disclosed
WO-2014149164-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-25 — — WO disclosed
WO-2014124230-A2 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 — — WO disclosed
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 — — 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 (6 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-20170137406-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 RAB9A 1517/4885KMT2A 2071/4885FOS 483/4885
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 RAB9A 3788/4885KMT2A 377/4885FOS 1711/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 RAB9A 1454/4885KMT2A 3528/4885FOS 555/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 RAB9A 1517/4885KMT2A 2071/4885FOS 483/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 RAB9A 1517/4885KMT2A 2071/4885FOS 483/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 RAB9A 1517/4885KMT2A 2071/4885FOS 483/4885

“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.

Send feedback