SCHEMBL3578002

SCHEMBL3578002

CCOC(=O)CC(CNCc1ccccc1)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
LMNA P02545 2/20 0.43
P2RX7 Q99572 7/20 0.41
ENPP1 P22413 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PPARG P37231 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
ENPP2 Q13822 1/20 0.40
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL1826390 0.95 SMN1; SMN2 (0.43) ALDH1A1LMNASMN1; SMN2PPARGCYP2C9
SCHEMBL1826684 0.93 P2RX7 (0.46) ALDH1A1LMNAP2RX7PPARGMAPT
SCHEMBL1824043 0.92 ALDH1A1 (0.42) ALDH1A1LMNAP2RX7ENPP1SMN1; SMN2
SCHEMBL1825021 0.90 F10 (0.42) ALDH1A1LMNAP2RX7SMN1; SMN2KMT2A
SCHEMBL1823555 0.90 ENPP2 (0.41) ALDH1A1LMNAP2RX7ENPP1SMN1; SMN2
SCHEMBL1823133 0.89 P2RX7 (0.46) ALDH1A1LMNAP2RX7ENPP1PPARG
SCHEMBL1826618 0.87 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2PPARGMAPT
SCHEMBL1826377 0.86 CA12 (0.41) ALDH1A1P2RX7ENPP1SMN1; SMN2MAPT
SCHEMBL1828892 0.86 P2RX7 (0.49) ALDH1A1LMNAP2RX7MAPT
SCHEMBL1823395 0.86 ALDH1A1 (0.40) ALDH1A1ENPP1SMN1; SMN2KMT2AMEN1

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-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
US-20070270603-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2007-11-22 US disclosed
US-7271280-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-18 US disclosed
EP-1481967-A1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS Sumitomo Chemical Company, Limited (JP) 2004-12-01 EP disclosed
US-20040158093-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-12 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-20040158093-A1 Process for preparing a biaryl compound CYP1B1, REL, CYP2F1 ALDH1A1 1099/4885LMNA 1802/4885P2RX7 3606/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ALDH1A1 1440/4885LMNA 1130/4885P2RX7 2747/4885

“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.