SCHEMBL10976293

SCHEMBL10976293

COC(=O)C(C)Oc1cccc([N+](=O)[O-])c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.51
ALDH1A1 P00352 5/20 0.50
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
GAA P10253 1/20 0.45
POLB P06746 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2C9 P11712 1/20 0.42
DHODH Q02127 1/20 0.42

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
SCHEMBL17846934 1.00 GLA (0.51) GLAALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL10976558 0.88 L3MBTL1 (0.53) GLAALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL28814668 0.86 TSHR (0.53) GLAALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL31576688 0.82 ALDH1A1 (0.51) GLAALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL30072983 0.81 TDP1 (0.60) GLAALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL27296339 0.78 F9 (0.46) ALDH1A1TSHRSMN1; SMN2KMT2AGAA
SCHEMBL30806568 0.78 ALDH1A1 (0.53) ALDH1A1TDP1SMN1; SMN2KMT2AGAA
SCHEMBL19643065 0.78 ALDH1A1 (0.50) GLAALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL19643067 0.78 ALDH1A1 (0.50) GLAALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL31576683 0.78 MAPT (0.56) GLAALDH1A1TSHRSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10172814-B2 Substituted pyridyl-cycloalkyl-carboxylic acids, compositions containing them and medical uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-08 US disclosed
US-20170354620-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
EP-3233802-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF Bayer Pharma Aktiengesellschaft (DE) 2017-10-25 EP disclosed
WO-2016097013-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 WO disclosed
US-4523020-A USEFUL FOR TREATMENT OF DIARRHEA AND AS ANALGESICS G. D. SEARLE & CO. (US) 1985-06-11 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 (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-10172814-B2 Substituted pyridyl-cycloalkyl-carboxylic acids, compositions containing them and medical uses thereof PTGER1, PTGES, PTGES3 GLA 2092/4885ALDH1A1 172/4885TSHR 4698/4885
US-20170354620-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF PTGER1, PTGES, PTGES3 GLA 2092/4885ALDH1A1 172/4885TSHR 4698/4885

“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.