SCHEMBL3199017

SCHEMBL3199017

[CH2]Cc1ccccc1OCCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.56
CYP2C9 P11712 3/20 0.56
CYP2C19 P33261 2/20 0.56
L3MBTL1 Q9Y468 5/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 1/20 0.51
ATM Q13315 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46
PRKCD Q05655 1/20 0.46
PAK1 Q13153 1/20 0.46
CAMK2B Q13554 1/20 0.46
CAMK2G Q13555 1/20 0.46
CAMK2D Q13557 1/20 0.46
TAOK1 Q7L7X3 1/20 0.46
PPARD Q03181 1/20 0.44
LTA4H P09960 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
SCHEMBL677508 0.94 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19L3MBTL1MAPT
SCHEMBL677289 0.93 MAPT (0.51) CYP1A2CYP2C9CYP2C19L3MBTL1MAPT
SCHEMBL677597 0.93 MAPT (0.51) CYP1A2CYP2C9CYP2C19L3MBTL1MAPT
SCHEMBL2924592 0.93 MAPT (0.51) CYP1A2CYP2C9CYP2C19L3MBTL1MAPT
SCHEMBL17309906 0.93 MAPT (0.51) CYP1A2CYP2C9CYP2C19L3MBTL1MAPT
SCHEMBL3200502 0.90 L3MBTL1 (0.52) CYP1A2CYP2C9CYP2C19L3MBTL1MAPT
SCHEMBL59202 0.85 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19L3MBTL1MAPT
SCHEMBL9689273 0.84 L3MBTL1 (0.69) CYP1A2CYP2C9CYP2C19L3MBTL1MAPT
SCHEMBL676117 0.84 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19L3MBTL1MAPT
SCHEMBL919038 0.82 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
US-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 US disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 EP disclosed
EP-1180765-B1 Optical recording medium and porphycene compound MITSUI CHEMICALS INC (JP) 2005-04-06 EP disclosed
EP-1180765-A1 Optical recording medium and porphycene compound Mitsui Chemicals, Inc. (JP) 2002-02-20 EP disclosed
US-6106999-A SENSITIVITY TO GENERAL-PURPOSE VISIBLE LIGHT LASER, SO THAT HIGH-SPEED SCANNING EXPOSURE IS POSSIBLE BY LASER, AND EXTREMELY FINE HIGH RESOLUTION CAN BE OBTAINED; CAN BE USED FOR COATING OR PRINTING UNDER SAFELIGHT IRRADIATING CONDITIONS MITSUI CHEMICALS (JP) 2000-08-22 US disclosed
EP-0182157-B1 ESTER DERIVATIVES OF ANTIBIOTIC L 17046 GRUPPO LEPETIT S.p.A. (IT) 1992-07-15 EP disclosed
US-4954483-A BACTERICIDE, ANIMAL GROWTH PROMOTER GRUPPO LEPETIT, S.P.A. (IT) 1990-09-04 US disclosed
US-4914187-A REACTING PROTECTED ANTIBIOTIC DERIVATIVE WITH ORGANIC HALIDE IN POLAR APROTIC SOLVENT GRUPPO LEPETIT S.P.A (IT) 1990-04-03 US disclosed
EP-0216775-B1 CARBOXYLIC ACID ESTER DERIVATIVES OF DEGLUCOTEICOPLANIN GRUPPO LEPETIT S.p.A. (IT) 1989-05-03 EP disclosed
US-4661470-A MICROBIOCIDES GRUPPO LEPETIT S.P.A. (IT) 1987-04-28 US disclosed
EP-0216775-A1 CARBOXYLIC ACID ESTER DERIVATIVES OF DEGLUCOTEICOPLANIN. LEPETIT SPA (IT) 1987-04-08 EP disclosed
EP-0182157-A2 Ester derivatives of antibiotic L 17046 GRUPPO LEPETIT S.p.A. (IT) 1986-05-28 EP disclosed
WO-1986000075-A1 CARBOXYLIC ACID ESTER DERIVATIVES OF DEGLUCOTEICOPLANIN GRUPPO LEPETIT S.P.A. (IT) 1986-01-03 WO 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-20100035881-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 CYP1A2 3833/4885CYP2C9 4495/4885CYP2C19 4474/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 CYP1A2 3980/4885CYP2C9 4638/4885CYP2C19 4494/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 CYP1A2 3658/4885CYP2C9 4491/4885CYP2C19 4454/4885

“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.