SCHEMBL1131772

SCHEMBL1131772

CCOC(=O)CCC=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
CYP4F2 P78329 3/20 0.46
CYP4A11 Q02928 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.46
TOP2A P11388 1/20 0.43
TBXAS1 P24557 1/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALOX5 P09917 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
SCHEMBL27187327 0.88 ALDH1A1 (0.51) ALDH1A1TSHRSMN1; SMN2CYP4F2CYP4A11
SCHEMBL8757353 0.88 ALDH1A1 (0.51) ALDH1A1TSHRSMN1; SMN2CYP4F2CYP4A11
SCHEMBL52770 0.83 TSHR (0.51) ALDH1A1TSHRSMN1; SMN2CYP4F2CYP4A11
SCHEMBL17064719 0.80 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL4139139 0.79 NPSR1 (0.44) ALDH1A1TSHRSMN1; SMN2TBXAS1
SCHEMBL27517126 0.78 MEN1 (0.54) ALDH1A1TSHRSMN1; SMN2CYP4F2CYP4A11
SCHEMBL12820596 0.78 TDP1 (0.45) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL27416180 0.77 SMN1; SMN2 (0.56) ALDH1A1TSHRSMN1; SMN2CYP4F2CYP4A11
SCHEMBL3747191 0.76 TSHR (0.48) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL10666125 0.76 POLB (0.49) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3831841-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T Global Inc. (US) 2021-06-09 EP disclosed
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2019-05-23 US disclosed
WO-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 WO disclosed
EP-1340762-B1 Cephalosporin synthesis SANDOZ AG (CH) 2011-02-16 EP disclosed
EP-1340762-A1 Cephalosporin synthesis BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 2003-09-03 EP disclosed
EP-0757691-B1 CEPHALOSPORIN SYNTHESIS BIOCHEMIE GMBH (AT) 2003-07-02 EP disclosed
US-6093813-A Cephalosporin compounds BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 2000-07-25 US disclosed
US-6063917-A Cephalosporin synthesis BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 2000-05-16 US disclosed
US-6034237-A 3-imino-cephalosporins BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 2000-03-07 US disclosed
US-5856474-A Cephalosporin synthesis BIOCHEMIE GESELLSCHAFT, M.B.H. (AT) 1999-01-05 US disclosed
EP-0647606-B1 Derivatives of fullerene, process for their preparation and their use HOECHST AG (DE) 1997-03-26 EP disclosed
EP-0757691-A1 CEPHALOSPORIN SYNTHESIS BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1997-02-12 EP disclosed
WO-1995029182-A1 CEPHALOSPORIN SYNTHESIS BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1995-11-02 WO disclosed
EP-0647606-A1 Derivatives of fullerene, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-12 EP 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-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF MALT1, MYLK2, FKBP1B ALDH1A1 2805/4885TSHR 4178/4885SMN1; SMN2 781/4885

“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.