SCHEMBL10138510

SCHEMBL10138510

CCC(C)c1cc(OC)cc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
GAA P10253 3/20 0.45
MAPT P10636 3/20 0.45
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABCB11 O95342 1/20 0.39
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
ALOX12 P18054 1/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
USP2 O75604 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL21135648 0.86 ALDH1A1 (0.40) ALDH1A1GAAMAPTHPGDSMN1; SMN2
SCHEMBL19275144 0.86 ALDH1A1 (0.40) ALDH1A1GAAMAPTHPGDSMN1; SMN2
SCHEMBL13411272 0.86 ALDH1A1 (0.37) ALDH1A1GAAMAPTHPGDSMN1; SMN2
SCHEMBL21135650 0.86 MGLL (0.40) ALDH1A1GAAMAPTHPGDSMN1; SMN2
SCHEMBL25468626 0.83 ALDH1A1 (0.38) ALDH1A1GAAMAPTHPGDSMN1; SMN2
SCHEMBL2758520 0.83 ALDH1A1 (0.41) ALDH1A1GAAMAPTHPGDSMN1; SMN2
SCHEMBL15418608 0.83 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1ABCB11KMT2A
SCHEMBL20072561 0.82 RXRA (0.40) ALDH1A1GAAMAPTHPGDSMN1; SMN2
SCHEMBL22861120 0.80 ALDH1A1 (0.36) ALDH1A1GAAMAPTHPGDSMN1; SMN2
SCHEMBL13317740 0.80 ALDH1A1 (0.43) ALDH1A1GAAMAPTTSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392223-A1 IL-17A ACTIVITY INHIBITOR AND USE THEREOF TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2020-12-17 US disclosed
US-9075306-B2 Chemically amplified negative resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-8426103-B2 Positive resist composition for use with electron beam, X-ray or EUV and pattern forming method using the same FUJIFILM CORPORATION (JP) 2013-04-23 US disclosed
US-8092978-B2 Positive resist composition for electron beam, X-ray or EUV and pattern forming method using the same FUJIFILM CORPORATION (JP) 2012-01-10 US disclosed
US-20110177464-A1 CHEMICALLY AMPLIFIED NEGATIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-07-21 US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20090246685-A1 POSITIVE RESIST COMPOSITION FOR ELECTRON BEAM, X-RAY OR EUV AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
US-20090202946-A1 POSITIVE RESIST COMPOSITION FOR USE WITH ELECTRON BEAM, X-RAY OR EUV AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-08-13 US disclosed
US-7521168-B2 Compound that has a reduction potential higher than that of diphenyl iodonium salt and generates an acid upon irradiation of an actinic ray or radiation. FUJIFILM CORPORATION (JP) 2009-04-21 US disclosed
US-7432034-B2 Negative resist composition FUJIFILM CORPORATION (JP) 2008-10-07 US disclosed
US-20080241745-A1 Mixture of alkali soluble polymer, crosslinking agent, acid generator ; radiation with actinic radiation; quaternary ammonium compound FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed
US-20080241751-A1 CHEMICALLY AMPLIFIED NEGATIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2008-10-02 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 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-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 ALDH1A1 1645/4885GAA 1640/4885MAPT 1856/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK ALDH1A1 148/4885GAA 1059/4885MAPT 1563/4885
US-20200392223-A1 IL-17A ACTIVITY INHIBITOR AND USE THEREOF IL17A, IL23R, IL15RA ALDH1A1 2384/4885GAA 3989/4885MAPT 3186/4885

“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.