SCHEMBL430374

SCHEMBL430374

C=CCc1c(C=O)cccc1OCc1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 5/20 0.48
CYP3A4 P08684 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
LMNA P02545 2/20 0.46
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
ABCB1 P08183 2/20 0.43
MAPT P10636 2/20 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
SCHEMBL30428749 0.85 CCNB2 (0.52) NPC1RAB9ATDP1ALDH1A1SMN1; SMN2
SCHEMBL6709201 0.85 CCNB2 (0.52) NPC1RAB9ATDP1ALDH1A1SMN1; SMN2
SCHEMBL11953003 0.83 ALDH1A1 (0.51) NPC1RAB9ATDP1ALDH1A1CYP3A4
SCHEMBL5628749 0.81 ALDH1A1 (0.64) NPC1RAB9ATDP1ALDH1A1SMN1; SMN2
SCHEMBL4984877 0.81 TLR2 (0.53) NPC1RAB9ATDP1ALDH1A1SMN1; SMN2
SCHEMBL696160 0.80 NPC1 (0.55) NPC1RAB9ATDP1ALDH1A1SMN1; SMN2
SCHEMBL19511901 0.79 ERN1 (0.60) NPC1RAB9ATDP1ALDH1A1SMN1; SMN2
SCHEMBL3446415 0.79 ALDH1A1 (0.54) NPC1RAB9ATDP1ALDH1A1SMN1; SMN2
SCHEMBL2489060 0.78 HTR1A (0.52) NPC1RAB9ATDP1SMN1; SMN2HTR1A
SCHEMBL9985970 0.77 MRGPRX4 (0.50) NPC1RAB9AALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11724979-B2 Process for the preparation of treprostinil CHINOIN Gyógyszer és Vegyészeti Termékek Gyára Zrt. (HU) 2023-08-15 US disclosed
US-20170313643-A1 PROCESS FOR THE PREPARATION OF TREPROSTINIL CHINOIN Gyógyszer és Vegyészeti Termékek Gyára Zrt. (HU) 2017-11-02 US disclosed
WO-2016055819-A1 PROCESS FOR THE PREPARATION OF TREPROSTINIL CHINOIN Gyógyszer és Vegyészeti Termékek Gyára Zrt. (HU) 2016-04-14 WO disclosed
US-9029607-B2 Protected aldehydes for use as intermediates in chemical syntheses, and processes for their preparation ALPHORA RESEARCH INC. (CA) 2015-05-12 US disclosed
US-9029607-B2 Protected aldehydes for use as intermediates in chemical syntheses, and processes for their preparation ALPHORA RESEARCH INC. (CA) 2015-05-12 US disclosed
US-9029607-B2 Protected aldehydes for use as intermediates in chemical syntheses, and processes for their preparation ALPHORA RESEARCH INC. (CA) 2015-05-12 US disclosed
US-20130331593-A1 Synthesis Of Treprostinil And Intermediates Useful Therein ALPHORA RESEARCH INC. (CA) 2013-12-12 US disclosed
US-20130211145-A1 Protected Aldehydes For Use As Intermediates In Chemical Syntheses, And Processes For Their Preparation ALPHORA RESEARCH INC. (CA) 2013-08-15 US disclosed
US-20130211145-A1 Protected Aldehydes For Use As Intermediates In Chemical Syntheses, And Processes For Their Preparation ALPHORA RESEARCH INC. (CA) 2013-08-15 US disclosed
US-20130211145-A1 Protected Aldehydes For Use As Intermediates In Chemical Syntheses, And Processes For Their Preparation ALPHORA RESEARCH INC. (CA) 2013-08-15 US disclosed
US-20120197041-A1 TREPROSTINIL PRODUCTION UNITED THERAPEUTICS CORPORATION 2012-08-02 US disclosed
WO-2012009818-A1 PROTECTED ALDEHYDES FOR USE AS INTERMEDIATES IN CHEMICAL SYNTHESES, AND PROCESSES FOR THEIR PREPARATION ALPHORA RESEARCH INC. (CA) 2012-01-26 WO disclosed
WO-2012009818-A1 PROTECTED ALDEHYDES FOR USE AS INTERMEDIATES IN CHEMICAL SYNTHESES, AND PROCESSES FOR THEIR PREPARATION ALPHORA RESEARCH INC. (CA) 2012-01-26 WO disclosed
WO-2012009816-A1 SYNTHESIS OF TREPROSTINIL AND INTERMEDIATES USEFUL THEREIN ALPHORA RESEARCH INC. (CA) 2012-01-26 WO disclosed
WO-2012009816-A1 SYNTHESIS OF TREPROSTINIL AND INTERMEDIATES USEFUL THEREIN ALPHORA RESEARCH INC. (CA) 2012-01-26 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 (5 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-11724979-B2 Process for the preparation of treprostinil PTGIS, TFPI, TREH NPC1 3135/4885RAB9A 3181/4885TDP1 1633/4885
US-20120197041-A1 TREPROSTINIL PRODUCTION PTGIS, PTGIR, PTGES NPC1 1940/4885RAB9A 2880/4885TDP1 1579/4885
US-20170313643-A1 PROCESS FOR THE PREPARATION OF TREPROSTINIL PTGIS, CYP2C19, CYP2F1 NPC1 1160/4885RAB9A 1874/4885TDP1 444/4885
US-20130331593-A1 Synthesis Of Treprostinil And Intermediates Useful Therein MAOB, TERB1, TBXAS1 NPC1 2929/4885RAB9A 1157/4885TDP1 1526/4885
US-20130211145-A1 Protected Aldehydes For Use As Intermediates In Chemical Syntheses, And Processes For Their Preparation CYP1B1, MAOB, ALDH1B1 NPC1 3493/4885RAB9A 1700/4885TDP1 1088/4885

“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.