SCHEMBL2815539

SCHEMBL2815539

Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@@H](C)C[C@H](C)P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
NOS2 P35228 5/20 0.32
NOS3 P29474 4/20 0.32
NOS1 P29475 4/20 0.32

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
SCHEMBL1225131 1.00 ALDH1A1 (0.33) ALDH1A1TSHRNOS2NOS3NOS1
SCHEMBL1224900 0.79
SCHEMBL4379629 0.78 ACHE (0.38) ALDH1A1
SCHEMBL16447448 0.78 ACHE (0.38) ALDH1A1
SCHEMBL16414300 0.76 LMNA (0.31)
SCHEMBL1223821 0.76 ALDH1A1 (0.38) ALDH1A1TSHRNOS2NOS3NOS1
SCHEMBL14653011 0.76 ALDH1A1 (0.38) ALDH1A1TSHRNOS2NOS3NOS1
SCHEMBL12584883 0.76 ALDH1A1 (0.38) ALDH1A1TSHRNOS2NOS3NOS1
SCHEMBL4371664 0.75 NPC1 (0.31) ALDH1A1
SCHEMBL15137106 0.74 TAS1R3 (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190106416-A1 PROCESS FOR THE PREPARATION OF PROPIONIC ACID DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-04-11 US disclosed
US-9238667-B2 Rhodium catalyst and method for producing amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
US-9238667-B2 Rhodium catalyst and method for producing amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
EP-2411385-B1 PROCESS FOR THE PREPARATION OF PROPIONIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-08-05 EP disclosed
US-20150051416-A1 RHODIUM CATALYST AND METHOD FOR PRODUCING AMINE COMPOUND SPERA PHARMA, INC. (JP) 2015-02-19 US disclosed
US-20150051416-A1 RHODIUM CATALYST AND METHOD FOR PRODUCING AMINE COMPOUND SPERA PHARMA, INC. (JP) 2015-02-19 US disclosed
US-20150025249-A1 PROCESS FOR THE PREPARATION OF PROPIONIC ACID DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-01-22 US disclosed
US-20130184468-A1 PROCESS FOR THE PREPARATION OF PROPIONIC ACID DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-07-18 US disclosed
US-8450496-B2 Process for the preparation of propionic acid derivatives HOFFMAN-LA ROCHE INC. (US) 2013-05-28 US disclosed
EP-2585452-A1 PROCESS FOR THE PREPARATION OF PROPIONIC ACID DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-01 EP disclosed
US-20100249428-A1 PROCESS FOR THE PREPARATION OF PROPIONIC ACID DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-09-30 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 (5 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-20150025249-A1 PROCESS FOR THE PREPARATION OF PROPIONIC ACID DERIVATIVES PCCA, SLC6A1, SLC6A11 ALDH1A1 92/4885TSHR 1916/4885NOS2 2878/4885
US-20150051416-A1 RHODIUM CATALYST AND METHOD FOR PRODUCING AMINE COMPOUND PRMT7, PRMT5, HNMT ALDH1A1 2581/4885TSHR 846/4885NOS2 91/4885
US-20130184468-A1 PROCESS FOR THE PREPARATION OF PROPIONIC ACID DERIVATIVES PCCA, SLC6A1, SLC6A11 ALDH1A1 92/4885TSHR 1916/4885NOS2 2878/4885
US-20100249428-A1 PROCESS FOR THE PREPARATION OF PROPIONIC ACID DERIVATIVES PCCA, SLC6A1, SLC6A11 ALDH1A1 92/4885TSHR 1916/4885NOS2 2878/4885
US-20190106416-A1 PROCESS FOR THE PREPARATION OF PROPIONIC ACID DERIVATIVES PCCA, SLC6A1, SLC6A11 ALDH1A1 92/4885TSHR 1916/4885NOS2 2878/4885

“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.