SCHEMBL19929719

SCHEMBL19929719

C#CCOCC#CC(C)(O)C#Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HTR2A P28223 4/20 0.32
▸ HTR2C P28335 3/20 0.32
▸ HTR2B P41595 3/20 0.32
▸ SIGMAR1 Q99720 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ THPO P40225 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL13259162 0.78 KDM4E (0.51) MAPTKDM4ENPSR1HTTHTR2A
SCHEMBL19929706 0.75 MEN1 (0.33) MEN1ALDH1A1KMT2A
SCHEMBL19929708 0.71 ALDH1A1 (0.33) KDM4ECYP1A2CYP2C9CYP2C19MEN1
SCHEMBL19929694 0.71 KDM4E (0.39) KDM4ENPSR1HTR2AHTR2CHTR2B
SCHEMBL1276464 0.68 CYP1A2 (0.56) MAPTKDM4ENPSR1HTTHTR2A
SCHEMBL19929701 0.68 KDM4E (0.36) KDM4EHTR2ALMNACYP1A2CYP3A4
SCHEMBL27697273 0.67 NPC1 (0.37) KDM4EHTR2AHTR2CSIGMAR1CYP1A2
SCHEMBL487465 0.66 MAPT (0.56) MAPTNPSR1HTTLMNACYP1A2
Phenol SCHEMBL11797155 0.65 CA12 (0.50) MAPTLMNACYP1A2CYP2C19ALDH1A1
SCHEMBL27991909 0.65 NPC1 (0.35) NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10287225-B2 Chain multiyne compound, preparation method and application thereof XIAMEN UNIVERSITY (CN) 2019-05-14 — — US disclosed
US-20180065908-A1 CHAIN MULTIYNE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF XIAMEN UNIVERSITY (CN) 2018-03-08 — — US disclosed
US-20180065908-A1 CHAIN MULTIYNE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF XIAMEN UNIVERSITY (CN) 2018-03-08 — — 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-20180065908-A1 CHAIN MULTIYNE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF SQLE, COASY, MCCC2 MAPT 4110/4885KDM4E 2838/4885NPSR1 3871/4885
US-10287225-B2 Chain multiyne compound, preparation method and application thereof SQLE, COASY, MCCC2 MAPT 4110/4885KDM4E 2838/4885NPSR1 3871/4885

“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.

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