SCHEMBL17673176

SCHEMBL17673176

COC(=O)c1cccc([N+](=O)[O-])c1OC(C)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
MAPT P10636 3/20 0.45
MAPK1 P28482 2/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
GLA P06280 1/20 0.43
POLB P06746 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL17673145 0.85 ALDH1A1 (0.44) ALDH1A1MAPTMAPK1TSHRSMN1; SMN2
SCHEMBL17673274 0.83 ALDH1A1 (0.44) ALDH1A1MAPTMAPK1TSHRSMN1; SMN2
SCHEMBL17673208 0.82 TSHR (0.45) ALDH1A1MAPTTSHRPOLBCYP1A2
SCHEMBL19518286 0.82 TSHR (0.45) ALDH1A1MAPTTSHRPOLBCYP1A2
SCHEMBL1945795 0.81 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1TSHRSMN1; SMN2
SCHEMBL1126945 0.79 TSHR (0.53) ALDH1A1MAPTMAPK1TSHRSMN1; SMN2
SCHEMBL17673278 0.78 ALDH1A1 (0.45) ALDH1A1MAPTMAPK1TSHRSMN1; SMN2
SCHEMBL17673293 0.78 ALDH1A1 (0.45) ALDH1A1MAPTMAPK1TSHRSMN1; SMN2
SCHEMBL26343321 0.77 RAB9A (0.57) ALDH1A1MAPTTSHRSMN1; SMN2GLA
SCHEMBL28782981 0.76 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1TSHRSMN1; SMN2

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 1533/4885MAPT 2745/4885MAPK1 579/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 ALDH1A1 1533/4885MAPT 2745/4885MAPK1 579/4885

“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.