SCHEMBL10069905

SCHEMBL10069905

CC(C)C[n+]1c(/C=C/c2ccc(OCc3ccccc3)cc2)cccc1/C=C/c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.56
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ GSK3B P49841 3/20 0.48
▸ BACE1 P56817 3/20 0.48
▸ PPARG P37231 2/20 0.45
▸ PPARA Q07869 1/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP1A1 P04798 1/20 0.45
▸ CYP19A1 P11511 1/20 0.45
▸ SLC5A1 P13866 1/20 0.44
▸ SLC5A2 P31639 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ TP53 P04637 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ MTOR P42345 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44

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
SCHEMBL10069917 0.84 RELA (0.55) NPC1RAB9ASMN1; SMN2MAOBTP53
SCHEMBL10069919 0.84 NPC1 (0.41) LCKNPC1RAB9ASMN1; SMN2TP53
SCHEMBL13126551 0.81 ALDH1A1 (0.50) CYP1A2CYP1A1KDM4EMEN1KMT2A
SCHEMBL10069918 0.81 HPGD (0.55) SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL13126944 0.81 LCK (0.54) LCKNPC1RAB9ASMN1; SMN2GSK3B
SCHEMBL13822529 0.81 TRPA1 (0.50) NPC1RAB9ASMN1; SMN2CYP1A2CYP1A1
SCHEMBL10068864 0.80 ALDH1A3 (0.44) NPC1RAB9ASMN1; SMN2PPARGPPARA
SCHEMBL10069202 0.80 LCK (0.56) LCKNPC1RAB9ASMN1; SMN2GSK3B
SCHEMBL20024692 0.78 LCK (0.77) LCKNPC1RAB9ASMN1; SMN2GSK3B
SCHEMBL14786203 0.78 LCK (0.77) LCKNPC1RAB9ASMN1; SMN2GSK3B

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-8124626-B2 Methods of treating inflammations and infections with pyridinium salts MYCOSOL, INC. (US) 2012-02-28 — — US disclosed
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS KLEIN RICHARD B 2010-10-21 — — US disclosed
US-7547444-B1 Methods for controlling fungi and bacteria MYCOSOL, INC. (US) 2009-06-16 — — US disclosed
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA MYCOSOL, INC. 2009-05-28 — — US disclosed
US-20070213299-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI, BACTERIA AND INSECTS MYCOSOL, INC. 2007-09-13 — — US disclosed
US-7220761-B2 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. (US) 2007-05-22 — — 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 (3 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-20070213299-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI, BACTERIA AND INSECTS BLVRB, PNPO, PLPBP LCK 1734/4885NPC1 3954/4885RAB9A 3091/4885
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA PNPO, BLVRB, DPM1 LCK 1814/4885NPC1 4376/4885RAB9A 3300/4885
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS PNPO, PLPBP, TPMT LCK 97/4885NPC1 3038/4885RAB9A 4725/4885

“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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