SCHEMBL10036505

SCHEMBL10036505

c1cc2c(cc1OCCCCC1CCSS1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 12/20 0.50
▸ MAOA P21397 6/20 0.49
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ PPARG P37231 1/20 0.40

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
SCHEMBL9906234 0.82 KMT2A (0.46) MEN1MAPTCYP2C9TSHRKMT2A
SCHEMBL30015824 0.79 POLB (0.42) MEN1MAPTCYP2C9TSHRKMT2A
SCHEMBL11802724 0.78 MAOB (0.72) MAOBMAOAMEN1CYP1A2CYP3A4
SCHEMBL108114 0.76 MAOB (0.74) MAOBMAOAMEN1CYP1A2CYP3A4
SCHEMBL10036507 0.75 KMT2A (0.39) MEN1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL107322 0.74 MAOB (0.83) MAOBMAOAMEN1CYP1A2CYP3A4
SCHEMBL28900631 0.72 MAOB (0.64) MAOBMAOAMEN1CYP1A2CYP3A4
SCHEMBL8542594 0.72 MAOB (0.64) MAOBMAOAMEN1CYP1A2CYP3A4
SCHEMBL11798994 0.72 MAOB (0.67) MAOBMAOAMEN1CYP1A2CYP3A4
SCHEMBL22221556 0.72 MAOB (0.64) MAOBMAOAMEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041025-A1 Dihydrolipoic Acid Derivatives Comprising Nitric Oxide and Therapeutic Uses Thereof CARMEL BIOSCIENCES, INC. 2012-02-16 — — US disclosed
US-20120041025-A1 Dihydrolipoic Acid Derivatives Comprising Nitric Oxide and Therapeutic Uses Thereof CARMEL BIOSCIENCES, INC. 2012-02-16 — — US disclosed
WO-2010017323-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-02-11 — — WO disclosed
US-20100035849-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-02-11 — — US disclosed
US-20100035849-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-02-11 — — 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-20100035849-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE REN, PCSK9, ALOX12 MAOB 1127/4885MAOA 2323/4885MEN1 2849/4885
US-20120041025-A1 Dihydrolipoic Acid Derivatives Comprising Nitric Oxide and Therapeutic Uses Thereof DLD, LDLR, ALOX15 MAOB 828/4885MAOA 918/4885MEN1 3369/4885

“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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