SCHEMBL2678698

SCHEMBL2678698

CC(C)(C)c1cc(OCCO)cc(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
CYP3A4 P08684 1/20 0.49
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
NR1I2 O75469 1/20 0.40
F2R P25116 6/20 0.38
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL7879116 0.90 GABRA1 (0.41) SMN1; SMN2CYP3A4GABRA1GABRB2LMNA
SCHEMBL12187528 0.83 F2R (0.44) SMN1; SMN2CYP3A4ALDH1A1NR1I2F2R
SCHEMBL852266 0.83 GABRA1 (0.46) SMN1; SMN2GABRA1GABRB2POLBRXRA
SCHEMBL13165245 0.81 L3MBTL1 (0.56) SMN1; SMN2CYP3A4ALDH1A1RECQLLMNA
SCHEMBL1188133 0.79 F2R (0.46) SMN1; SMN2CYP3A4F2RPOLB
SCHEMBL1898008 0.79 GPR84 (0.45) SMN1; SMN2CYP3A4ALDH1A1RECQLL3MBTL1
SCHEMBL270793 0.79 SMN1; SMN2 (0.68) SMN1; SMN2CYP3A4ALDH1A1RECQLNR1I2
SCHEMBL4579541 0.79 HTR1D (0.48) SMN1; SMN2GABRA1GABRB2LMNAPOLB
SCHEMBL2678696 0.79 GABRA1 (0.38) SMN1; SMN2ALDH1A1GABRA1GABRB2LMNA
SCHEMBL2678597 0.79 GABRA1 (0.38) SMN1; SMN2ALDH1A1GABRA1GABRB2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174503-B1 NUCLEAR WASTES TREATMENT, ESPECIALLY WASTES WITH A HIGH CONCENTRATION OF COMPETING ALKALI METAL CATIONS LOCKHEED MARTIN ENERGY RESEARCH CORPORATION 2001-01-16 US claimed
EP-1975160-B1 Polymerizable compound, polymer, ink composition, printed articles and inkjet recording method FUJIFILM CORP (JP) 2013-01-16 EP disclosed
US-8173226-B2 Polymerizable compound , polyethylene glycol mono(meth)acrylate, a polystyrene oligomer having a methacryloyl group at one terminal, acrylic macromonomer imides FUJIFILM CORPORATION (JP) 2012-05-08 US disclosed
US-20090214797-A1 INKJET INK COMPOSITION, AND INKJET RECORDING METHOD AND PRINTED MATERIAL EMPLOYING SAME FUJIFILM CORPORATION (JP) 2009-08-27 US disclosed
EP-2093265-A1 Inkjet ink composition, and inkjet recording method and printed material employing same FUJIFILM Corporation (JP) 2009-08-26 EP disclosed
US-20080241416-A1 POLYMERIZABLE COMPOUND, POLYMER, INK COMPOSITION, PRINTED ARTICLES AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed
EP-1975160-A1 Polymerizable compound, polymer, ink composition, printed articles and inkjet recording method Fujifilm Corporation (JP) 2008-10-01 EP disclosed
US-7399569-B2 Method for producing microcapsules, microcapsules, recording material, and heat-sensitive recording material FUJIFILM CORPORATION (JP) 2008-07-15 US disclosed
US-7022823-B2 Diazonium salt, its synthesizing method and recording material FUJI PHOTO FILM CO., LTD. (JP) 2006-04-04 US disclosed
US-20050187102-A1 Method for producing microcapsules, microcapsules, recording material, and heat-sensitive recording material FUJI PHOTO FILM CO., LTD. 2005-08-25 US disclosed
US-20040039180-A1 Diazonium salt, its synthesizing method and recording material FUJI PHOTO FILM CO., LTD. 2004-02-26 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-20080241416-A1 POLYMERIZABLE COMPOUND, POLYMER, INK COMPOSITION, PRINTED ARTICLES AND INKJET RECORDING METHOD CNOT1, CCNT1, SCO2 SMN1; SMN2 1372/4885CYP3A4 961/4885ALDH1A1 1750/4885
US-20040039180-A1 Diazonium salt, its synthesizing method and recording material CACNA1E, HCN2, HCN1 SMN1; SMN2 745/4885CYP3A4 3107/4885ALDH1A1 2602/4885

“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.