SCHEMBL2997357

SCHEMBL2997357

CCc1cc(C(=O)O)ccc1-c1ccc(OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
SRD5A2 P31213 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
KDM4E B2RXH2 2/20 0.53
RXRA P19793 1/20 0.51
MAP4K4 O95819 1/20 0.51
NR4A2 P43354 1/20 0.50
PTPN11 Q06124 1/20 0.50
CYP2C8 P10632 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CHEK1 O14757 1/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL2997363 0.91 SRD5A2 (0.63) SMN1; SMN2SRD5A2CA1CA2KDM4E
SCHEMBL4557296 0.88 SYK (0.53) SMN1; SMN2SRD5A2KDM4EMEN1KMT2A
SCHEMBL9652658 0.87 SRD5A2 (0.57) SMN1; SMN2SRD5A2RXRAPTPN11RAB9A
SCHEMBL6892386 0.84 SRD5A2 (0.53) SMN1; SMN2SRD5A2RXRAPTPN11TP53
SCHEMBL6059390 0.84 CA1 (0.63) SMN1; SMN2CA1CA2KDM4ERXRA
SCHEMBL6884735 0.83 RXRA (0.51) SRD5A2CA1CA2RXRAPTPN11
SCHEMBL2635961 0.82 BCL2 (0.50) SMN1; SMN2SRD5A2KDM4ERXRAKMT2A
SCHEMBL4557299 0.82 SRD5A2 (0.50) SMN1; SMN2SRD5A2KDM4EMEN1KMT2A
SCHEMBL6536178 0.81 SMN1; SMN2 (0.59) SMN1; SMN2CA1CA2KDM4ERXRA
SCHEMBL5024584 0.81 SMN1; SMN2 (0.59) SMN1; SMN2CA1CA2KDM4ERXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184977-A1 Nickel or Iron Catalysed Carbon-Carbon Coupling Reaction of Arylenes, Alkenes and Alkines SALTIGO GMBH (DE) 2010-07-22 US disclosed
EP-1924539-A1 NICKEL OR IRON CATALYSED CARBON-CARBON COUPLING REACTION OF ARYLENES, ALKENES AND ALKINES Saltigo GmbH (DE) 2008-05-28 EP disclosed
WO-2007031511-A1 NICKEL OR IRON CATALYSED CARBON-CARBON COUPLING REACTION OF ARYLENES, ALKENES AND ALKINES SALTIGO GMBH (DE) 2007-03-22 WO disclosed
US-7115741-B2 4-thieno[2,3-D]pyrimidin-4-YL piperazine compounds ALEXION PHARMACEUTICALS, INC. 2006-10-03 US disclosed
US-20030153556-A1 Piperazine and homopiperazine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-08-14 US disclosed
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 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 (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-20030153556-A1 Piperazine and homopiperazine compounds HAMP, MPL, F2 SMN1; SMN2 4536/4885SRD5A2 2534/4885CA1 4653/4885
US-20100184977-A1 Nickel or Iron Catalysed Carbon-Carbon Coupling Reaction of Arylenes, Alkenes and Alkines MON2, ZRANB2, GRIA2 SMN1; SMN2 3249/4885SRD5A2 1062/4885CA1 1518/4885

“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.