SCHEMBL1966027

SCHEMBL1966027

CCCCCCCCCCC(O)N(CCCC)CCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.43
SPHK1 Q9NYA1 2/20 0.43
FFAR1 O14842 2/20 0.43
LMNA P02545 2/20 0.43
CYP2D6 P10635 2/20 0.41
PLA2G1B P04054 1/20 0.41
PLA2G2A P14555 1/20 0.41
GMNN O75496 1/20 0.41
POLB P06746 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
BLM P54132 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CETP P11597 1/20 0.41
HTT P42858 1/20 0.41
UBE2N P61088 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
SCHEMBL11802193 1.00 GPR84 (0.43) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL10601926 0.98 GPR84 (0.40) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL3932582 0.91 GPR84 (0.43) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL9329956 0.91 GPR84 (0.43) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL1548681 0.91 ALDH1A1 (0.36) GPR84SPHK1FFAR1FDPS
SCHEMBL4937300 0.88 DNM1 (0.44) GPR84SPHK1FFAR1LMNA
SCHEMBL3934566 0.88 GPR84 (0.40) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL8588886 0.87 LMNA (0.45) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL27905426 0.87 LMNA (0.45) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL7562659 0.87 LMNA (0.45) GPR84SPHK1FFAR1LMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980210-B2 Capture and release of acid-gasses with acid-gas binding organic compounds BATTELLE MEMORIAL INSTITUTE (US) 2015-03-17 US disclosed
EP-2334406-A1 CAPTURE AND RELEASE OF ACID-GASSES WITH ACID-GAS BINDING ORGANIC COMPOUNDS Battelle Memorial Institute (US) 2011-06-22 EP disclosed
WO-2010039479-A1 CAPTURE AND RELEASE OF ACID-GASSES WITH ACID-GAS BINDING ORGANIC COMPOUNDS BATTELLE MEMORIAL INSTITUTE (US) 2010-04-08 WO disclosed
US-20090220397-A1 Capture and Release of Acid-Gasses with Acid-Gas Binding Organic Compounds BATTELLE MEMORIAL INSTITUTE (US) 2009-09-03 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 (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-20090220397-A1 Capture and Release of Acid-Gasses with Acid-Gas Binding Organic Compounds CA2, CA4, SLCO4C1 GPR84 75/4885SPHK1 4804/4885FFAR1 525/4885

“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.