SCHEMBL17673145

SCHEMBL17673145

CC(CC(=O)O)Oc1c(C(=O)OCc2ccccc2)cccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
RAB9A P51151 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 2/20 0.41
POLB P06746 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PDE1C Q14123 1/20 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

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
SCHEMBL17673125 0.86 RAB9A (0.42) ALDH1A1RAB9ATDP1L3MBTL1CYP3A4
SCHEMBL17673176 0.85 ALDH1A1 (0.46) ALDH1A1RAB9AL3MBTL1CYP3A4TSHR
SCHEMBL2009221 0.83 ALDH1A1 (0.51) ALDH1A1RAB9ATDP1L3MBTL1CYP3A4
SCHEMBL6276517 0.81 ALDH1A1 (0.52) ALDH1A1RAB9ATDP1L3MBTL1CYP3A4
SCHEMBL2706463 0.78 ALDH1A1 (0.61) ALDH1A1RAB9ATDP1L3MBTL1CYP3A4
SCHEMBL2014208 0.78 TSHR (0.60) ALDH1A1RAB9ATDP1L3MBTL1CYP3A4
SCHEMBL19518286 0.78 TSHR (0.45) ALDH1A1TDP1L3MBTL1TSHRKMT2A
SCHEMBL17673208 0.78 TSHR (0.45) ALDH1A1TDP1L3MBTL1TSHRKMT2A
SCHEMBL19451176 0.76 ALDH1A1 (0.55) ALDH1A1RAB9ATDP1L3MBTL1CYP3A4
SCHEMBL12569605 0.75 ALDH1A1 (0.54) ALDH1A1RAB9ATDP1L3MBTL1CYP3A4

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 1533/4885RAB9A 4381/4885TDP1 2493/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 ALDH1A1 1533/4885RAB9A 4381/4885TDP1 2493/4885

“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.