SCHEMBL9070614

SCHEMBL9070614

CCCOC(C)c1cc(C)ccc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ POLB P06746 4/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPBWR1 P48145 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TDP1 Q9NUW8 3/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ CTDSP1 Q9GZU7 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
SCHEMBL15800390 0.83 HPGD (0.35) LMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL9229804 0.83 SMN1; SMN2 (0.35) LMNAALDH1A1POLBNPBWR1SMN1; SMN2
SCHEMBL19432148 0.79 AR (0.36) ALDH1A1NPBWR1SMN1; SMN2MCHR1
SCHEMBL9229753 0.78 ESR1 (0.45) LMNAKDM4EPOLBTSHRCHRM1
SCHEMBL15355230 0.78 MAPT (0.36) ALDH1A1KDM4EPOLBKMT2ANPBWR1
SCHEMBL15899607 0.77 ALDH1A1 (0.39) LMNAALDH1A1KDM4EKMT2ANPBWR1
SCHEMBL8295646 0.77 POLB (0.34) LMNAALDH1A1KDM4EPOLBKMT2A
SCHEMBL16308858 0.77 NPC1 (0.42) LMNAALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL8750521 0.77 ALDH1A1 (0.39) LMNAALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL8750386 0.75 ALDH1A1 (0.38) LMNAALDH1A1KDM4EPOLBKMT2A

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-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 — — US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 — — US disclosed
EP-0268878-B1 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS (JP) 1996-01-31 — — EP disclosed
US-5023366-A Reacted with a benzyl halide, alcohol or ether; for pressure sensitive elements MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-06-11 — — US disclosed
EP-0268878-A2 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-06-01 — — EP 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-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A LMNA 1691/4885ALDH1A1 1231/4885KDM4E 2831/4885

“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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