SCHEMBL2458016

SCHEMBL2458016

CC1=C(C)C(=O)C(C(=O)CCCCCO)=C(C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP1 Q9NUW8 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ PGR P06401 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ TBXA2R P21731 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ AVPR2 P30518 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ PDE3A Q14432 1/20 0.37

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
SCHEMBL7329411 0.83 TDP1 (0.46) GPR84FFAR1FFAR4TDP1LMNA
SCHEMBL7324274 0.78 PTPN1 (0.39) SMN1; SMN2LMNAPGRTBXA2RPTPN1
SCHEMBL11168354 0.68 APEX1 (0.47) TDP1MAPTLMNAPGRCYP3A4
SCHEMBL13696967 0.67 MAPT (0.66) TDP1MAPTLMNAPGRCYP3A4
SCHEMBL8294278 0.67 MAPT (0.66) TDP1MAPTLMNAPGRCYP3A4
SCHEMBL28963086 0.67 MAPT (0.66) TDP1MAPTLMNAPGRCYP3A4
SCHEMBL2455425 0.67 MAPT (0.66) TDP1MAPTLMNAPGRCYP3A4
SCHEMBL14684716 0.67 MAPT (0.66) TDP1MAPTLMNAPGRCYP3A4
SCHEMBL11096677 0.64 MAPT (0.62) KDM4ETDP1MAPTLMNAPGR
Duroquinone SCHEMBL21767804 0.62 ALDH1A1 (0.43) TDP1MAPTLMNAPGRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4271083-A IMMUNO-POTENTIATING ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-06-02 — — US claimed
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 — — US disclosed
US-4525361-A FOR PHYSIOLOGICAL HOST DEFENSE CONTROL ACTIVITY IN MAMMALS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-06-25 — — US disclosed
US-4407757-A IMMUNOLOGY AGENT, MUSCLE RELAXANT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-10-04 — — US disclosed
US-4271083-A IMMUNO-POTENTIATING ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-06-02 — — US disclosed
US-4139545-A IMMUNO-POTENTIATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-02-13 — — 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-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF GPR84 3872/4885FFAR1 4469/4885FFAR4 4623/4885

“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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