SCHEMBL3226604

SCHEMBL3226604

CCCCC1C(C)=C(C)C(C)=C1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
CYP1A2 P05177 2/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
HTT P42858 1/20 0.32
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
CYP3A4 P08684 2/20 0.30
THRB P10828 1/20 0.30
CYP2C9 P11712 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL7648197 1.00 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL9110840 0.74 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL8465110 0.72 HTR2A (0.43) ALDH1A1CYP1A2TSHR
SCHEMBL930148 0.69
SCHEMBL8164368 0.65
SCHEMBL14495794 0.61
SCHEMBL22411237 0.57
Hexane SCHEMBL357364 0.54 TSHR (0.88) ALDH1A1MEN1KMT2ALMNATSHR
Pentane SCHEMBL9634178 0.54 TSHR (1.00) ALDH1A1MEN1KMT2ALMNATSHR
Hexane SCHEMBL8705498 0.54 TSHR (0.88) ALDH1A1MEN1KMT2ALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013177292-A1 TITANIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO claimed
WO-2013177284-A1 HAFNIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO claimed
WO-2013177292-A1 TITANIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO disclosed
WO-2013177269-A2 ZIRCONIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO disclosed
WO-2013177284-A1 HAFNIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO disclosed
US-20100069683-A1 Organic metal compound and process for preparing optically-active alcohols using the same KANTO KAGAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
US-20090062573-A1 Organic metal compound and process for preparing optically-active alcohols using the same KANTO KAGAKU KABUSHIKI KAISHA (JP) 2009-03-05 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-20090062573-A1 Organic metal compound and process for preparing optically-active alcohols using the same ADH1C, ADH1A, ADH5 ALDH1A1 26/4885MEN1 1228/4885KMT2A 2600/4885
US-20100069683-A1 Organic metal compound and process for preparing optically-active alcohols using the same ADH1C, ADH1A, ADH5 ALDH1A1 26/4885MEN1 1228/4885KMT2A 2600/4885

“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.