SCHEMBL164016

SCHEMBL164016

CC(C)COC(=O)c1cc(O)c2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
TSHR P16473 1/20 0.51
KDM4E B2RXH2 1/20 0.47
ADRB2 P07550 3/20 0.45
ADRB1 P08588 3/20 0.45
ADRB3 P13945 3/20 0.45
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
SERPINE1 P05121 2/20 0.44
MAPT P10636 2/20 0.42
PTPN1 P18031 2/20 0.42
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NQO2 P16083 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GPR35 Q9HC97 1/20 0.40
TYR P14679 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
SCHEMBL164015 0.86 ALDH1A1 (0.51) ALDH1A1TSHRKDM4EADRB2ADRB1
SCHEMBL25016090 0.84 ALDH1A1 (0.50) ALDH1A1TSHRKDM4EADRB2ADRB1
SCHEMBL163865 0.84 CA12 (0.57) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL163060 0.81 LMNA (0.57) ALDH1A1TSHRKDM4ESERPINE1TDP1
SCHEMBL161258 0.81 CA12 (0.57) ALDH1A1KDM4EMAPTNPC1HTT
SCHEMBL2738455 0.79 ALDH1A1 (0.57) ALDH1A1TSHRKDM4EADRB2ADRB1
SCHEMBL11983342 0.79 ADRB2 (0.67) ALDH1A1TSHRKDM4EADRB2ADRB1
SCHEMBL162778 0.79 ESR1 (0.64) TSHRSERPINE1SMN1; SMN2TDP1L3MBTL1
SCHEMBL161776 0.79 LMNA (0.56) ALDH1A1TSHRKDM4EMAPTHTT
SCHEMBL39620 0.78 SERPINE1 (0.69) ALDH1A1TSHRKDM4ESERPINE1PTPN1

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-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 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 (1 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 ALDH1A1 1667/4885TSHR 4862/4885KDM4E 2214/4885

“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.