SCHEMBL17673274

SCHEMBL17673274

C=CCC(C)Oc1c(C(=O)OC)cccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
GLA P06280 1/20 0.42
MAPT P10636 3/20 0.41
POLB P06746 3/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 2/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 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
SCHEMBL17673201 0.88 TSHR (0.48) ALDH1A1SMN1; SMN2GLAMAPTPOLB
SCHEMBL17673125 0.85 RAB9A (0.42) ALDH1A1SMN1; SMN2MAPTPOLBMAPK1
SCHEMBL17673176 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2GLAMAPTPOLB
SCHEMBL17673237 0.80 TDP1 (0.37) ALDH1A1SMN1; SMN2MAPTPOLBMAPK1
SCHEMBL19518297 0.80 TDP1 (0.37) ALDH1A1SMN1; SMN2MAPTPOLBMAPK1
SCHEMBL1945795 0.79 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2GLAMAPTPOLB
SCHEMBL17680955 0.77 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2GLAMAPTPOLB
SCHEMBL1126945 0.77 TSHR (0.53) ALDH1A1SMN1; SMN2GLAMAPTPOLB
SCHEMBL16401163 0.75 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2GLAMAPTPOLB
SCHEMBL28782981 0.74 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2GLAMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108512-B Therapeutic compounds and uses thereof 基因泰克公司 2021-05-04 CN disclosed
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 US disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
EP-3204360-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2017-08-16 EP disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO 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-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 ALDH1A1 1533/4885SMN1; SMN2 1409/4885GLA 1440/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 ALDH1A1 1533/4885SMN1; SMN2 1409/4885GLA 1440/4885

“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.