SCHEMBL875686

SCHEMBL875686

COc1cc(C(C)=O)c(O)cc1F

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.72
CYP3A4 P08684 6/20 0.49
MAPK1 P28482 3/20 0.49
HPGD P15428 3/20 0.49
ALDH1A1 P00352 1/20 0.49
HMGCR P04035 1/20 0.47
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
RAB9A P51151 1/20 0.43
PTGS2 P35354 1/20 0.42
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL29434878 1.00 HTT (0.72) HTTCYP3A4MAPK1HPGDALDH1A1
SCHEMBL6329490 0.93 HTT (0.72) HTTCYP3A4MAPK1HPGDALDH1A1
SCHEMBL1498783 0.85 HTT (0.61) HTTCYP3A4MAPK1HPGDALDH1A1
SCHEMBL3661837 0.84 HTT (1.00) HTTCYP3A4MAPK1HPGDALDH1A1
SCHEMBL30398255 0.84 HTT (1.00) HTTCYP3A4MAPK1HPGDALDH1A1
SCHEMBL1545430 0.82 HTT (0.81) HTTCYP3A4MAPK1HPGDALDH1A1
SCHEMBL31166907 0.81 CYP3A4 (0.50) HTTCYP3A4MAPK1HPGDALDH1A1
SCHEMBL2848241 0.81 HTT (0.50) HTTCYP3A4MAPK1HPGDALDH1A1
SCHEMBL30408027 0.80 KDM4E (0.51) HTTCYP3A4MAPK1ALDH1A1LMNA
SCHEMBL4165532 0.80 KDM4E (0.51) HTTCYP3A4MAPK1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348441-A1 BICYCLIC COMPOUND THAT ACTS AS CRBN PROTEIN REGULATOR MEDSHINE DISCOVERY INC. (CN) 2023-11-02 US disclosed
WO-2021047674-A1 BICYCLIC COMPOUND THAT ACTS AS CRBN PROTEIN REGULATOR 南京明德新药研发有限公司 2021-03-18 WO disclosed
US-9963480-B2 Nucleoside phosphoramidate compound and use thereof NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2018-05-08 US disclosed
US-20150361123-A1 NOVEL NUCLEOSIDE PHOSPHORAMIDATE COMPOUND AND USE THEREOF NANJING SANHOME PHARMACEUTICAL CO., LTD (CN) 2015-12-17 US disclosed
EP-2940031-A1 NOVEL NUCLEOSIDE PHOSPHORAMIDATE COMPOUND AND USE THEREOF Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) 2015-11-04 EP disclosed
US-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-04-05 US disclosed
WO-2012040641-A2 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-03-29 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 (3 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-20230348441-A1 BICYCLIC COMPOUND THAT ACTS AS CRBN PROTEIN REGULATOR CRBN, CRKL, NCOR1 HTT 3097/4885CYP3A4 4653/4885MAPK1 873/4885
US-20150361123-A1 NOVEL NUCLEOSIDE PHOSPHORAMIDATE COMPOUND AND USE THEREOF PNP, NUDT1, SLC28A1 HTT 1669/4885CYP3A4 1882/4885MAPK1 1283/4885
US-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 HTT 30/4885CYP3A4 4147/4885MAPK1 2313/4885

“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.