SCHEMBL17673201

SCHEMBL17673201

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GLA P06280 1/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 3/20 0.37

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
SCHEMBL17673274 0.88 ALDH1A1 (0.44) TSHRKDM4EL3MBTL1GLAALDH1A1
SCHEMBL17673125 0.85 RAB9A (0.42) TSHRTDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL17673237 0.82 TDP1 (0.37) TSHRKDM4ETDP1ALDH1A1SMN1; SMN2
SCHEMBL19518297 0.82 TDP1 (0.37) TSHRKDM4ETDP1ALDH1A1SMN1; SMN2
SCHEMBL11757422 0.78 TSHR (0.50) TSHRKDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL11757420 0.78 TSHR (0.50) TSHRKDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL31226867 0.76 TSHR (0.54) TSHRKDM4ETDP1L3MBTL1GLA
SCHEMBL17680890 0.75 TSHR (0.47) TSHRKDM4ETDP1L3MBTL1GLA
SCHEMBL521662 0.74 TSHR (0.68) TSHRKDM4ETDP1L3MBTL1GLA
SCHEMBL20672346 0.73 TSHR (0.51) TSHRKDM4ETDP1L3MBTL1GLA

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 TSHR 4022/4885KDM4E 387/4885TDP1 2493/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 TSHR 4022/4885KDM4E 387/4885TDP1 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.