SCHEMBL3314780

SCHEMBL3314780

CCCCNC(=O)C1CCCCC1(O)C(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.42
NAAA Q02083 2/20 0.42
BCHE P06276 1/20 0.41
HPGD P15428 2/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
GFER P55789 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 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
SCHEMBL13417268 0.88 FKBP1A (0.40) FKBP1ANAAAHPGDKMT2AALDH1A1
SCHEMBL3318810 0.88 ALDH1A1 (0.47) HPGDSMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL3314282 0.84 ALDH1A1 (0.44) NAAAHPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL14041443 0.84 HPGD (0.37) FKBP1ANAAAHPGDKMT2ASMN1; SMN2
SCHEMBL3317400 0.81 NAAA (0.41) NAAA
SCHEMBL14980950 0.81 ALDH1A1 (0.39) HPGDKMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL3320876 0.80 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2HTTLMNAMEN1
SCHEMBL3320884 0.79 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2HTTLMNA
SCHEMBL3316966 0.78 KMT2A (0.41) KMT2AALDH1A1TSHRNPSR1LMNA
SCHEMBL4112246 0.78 NPC1 (0.41) HPGDKMT2ASMN1; SMN2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199934-B2 Alpha-hydroxyketones BASF SE (DE) 2015-12-01 US disclosed
US-9199934-B2 Alpha-hydroxyketones BASF SE (DE) 2015-12-01 US disclosed
US-9199934-B2 Alpha-hydroxyketones BASF SE (DE) 2015-12-01 US disclosed
EP-2129659-B1 ALPHA-HYDROXYKETONES BASF SE (DE) 2013-05-29 EP disclosed
US-20100104979-A1 ALPHA-HYDROXYKETONES IGM GROUP B.V. (NL) 2010-04-29 US disclosed
US-20100104619-A1 DELIVERY SYSTEM FOR A NON-STEROIDAL NON-IONIZED HYDROPHILIC DRUG N.V. ORGANON (NL) 2010-04-29 US disclosed
US-20100104979-A1 ALPHA-HYDROXYKETONES IGM GROUP B.V. (NL) 2010-04-29 US disclosed
US-20100104979-A1 ALPHA-HYDROXYKETONES IGM GROUP B.V. (NL) 2010-04-29 US disclosed
EP-2129659-A1 ALPHA-HYDROXYKETONES BASF SE (DE) 2009-12-09 EP disclosed
EP-2094348-A1 DELIVERY SYSTEM FOR A NON-STEROIDAL NON-IONIZED HYDROPHILIC DRUG N.V. Organon (NL) 2009-09-02 EP disclosed
WO-2008122504-A1 ALPHA-HYDROXYKETONES BASF SE (CH) 2008-10-16 WO disclosed
WO-2008122504-A1 ALPHA-HYDROXYKETONES BASF SE (CH) 2008-10-16 WO disclosed
WO-2008062008-A1 DELIVERY SYSTEM FOR A NON-STEROIDAL NON-IONIZED HYDROPHILIC DRUG N.V. ORGANON (NL) 2008-05-29 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 (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-20100104979-A1 ALPHA-HYDROXYKETONES C9, C1R, CBR3 FKBP1A 2441/4885NAAA 3638/4885BCHE 2066/4885

“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.