SCHEMBL2817617

SCHEMBL2817617

CCCCCCCCc1ccc(O[PH](=O)Oc2ccc(CCCCCCCC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.53
THRA P10827 2/20 0.53
ALDH1A1 P00352 3/20 0.52
ESR1 P03372 2/20 0.52
ADRA2A P08913 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
TACR2 P21452 2/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
LMNA P02545 2/20 0.52
CYP3A4 P08684 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SHBG P04278 1/20 0.52
TP53 P04637 1/20 0.52
HSPD1 P10809 1/20 0.52
ADRB3 P13945 1/20 0.52
HTR2C P28335 1/20 0.52
HSPE1 P61604 1/20 0.52
HIF1A Q16665 1/20 0.52

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
SCHEMBL678040 1.00 THRB (0.53) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL5685400 1.00 THRB (0.53) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL2818978 1.00 THRB (0.53) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL3280809 1.00 THRB (0.53) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL10877184 0.98 THRB (0.51) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL28385899 0.98 THRB (0.51) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL30229491 0.98 THRB (0.51) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL10592941 0.98 THRB (0.53) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL11227675 0.94 THRB (0.48) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL1416862 0.93 ALDH1A1 (0.47) THRBTHRAALDH1A1ESR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3950488-A Process for recovering copper from basic carbonate mixtures KENNECOTT COPPER CORPORATION (US) 1976-04-13 US claimed
US-8604233-B2 Lubricant composition, magnetic recording medium, and novel polyether compound FUJIFILM CORPORATION (JP) 2013-12-10 US disclosed
US-7812171-B2 Black pigment, black pigment dispersion and black resin composition comprising the same FUJIFILM CORPORATION (JP) 2010-10-12 US disclosed
US-20100247971-A1 LUBRICANT COMPOSITION, MAGNETIC RECORDING MEDIUM, AND NOVEL POLYETHER COMPOUND FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed
US-20080262237-A1 BLACK PIGMENT, BLACK PIGMENT DISPERSION AND BLACK RESIN COMPOSITION COMPRISING THE SAME FUJIFILM CORPORATION (JP) 2008-10-23 US disclosed
US-20060083954-A1 Magnetic recording medium FUJI PHOTO FILM CO., LTD. 2006-04-20 US disclosed
US-4739380-A Integrated ambient sensing devices and methods of manufacture INTEGRATED IONICS, INC. (US) 1988-04-19 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-20100247971-A1 LUBRICANT COMPOSITION, MAGNETIC RECORDING MEDIUM, AND NOVEL POLYETHER COMPOUND MUC1, NEFM, CA13 THRB 4279/4885THRA 3283/4885ALDH1A1 3771/4885
US-20080262237-A1 BLACK PIGMENT, BLACK PIGMENT DISPERSION AND BLACK RESIN COMPOSITION COMPRISING THE SAME DYNLL1, HNRNPL, AOX1 THRB 4570/4885THRA 4295/4885ALDH1A1 384/4885

“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.