SCHEMBL676292

SCHEMBL676292

[CH2]Cc1ccc(C2CCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC1 Q13547 1/20 0.41
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
HAO1 Q9UJM8 1/20 0.40
RORC P51449 1/20 0.39
ESR2 Q92731 6/20 0.39
ESR1 P03372 5/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MITF O75030 1/20 0.38
KLF5 Q13887 1/20 0.38
LMNA P02545 2/20 0.38
NOTUM Q6P988 1/20 0.38
HTT P42858 1/20 0.38
NAAA Q02083 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL330369 0.98 HAO1 (0.42) HDAC8HDAC6HDAC1HTR2CHTR2B
SCHEMBL676977 0.98 HAO1 (0.42) HDAC8HDAC6HDAC1HTR2CHTR2B
SCHEMBL2919141 0.95 ESR2 (0.43) HDAC8HDAC6HDAC1HTR2CHTR2B
SCHEMBL2923249 0.91 ESR2 (0.42) ESR2ESR1CYP3A4CYP2D6CYP2C9
SCHEMBL3146239 0.83 SPHK1 (0.41) HDAC8HDAC6HDAC1HTR2CHTR2B
SCHEMBL5544467 0.81 SPHK1 (0.40) HDAC8HDAC6HDAC1HTR2CHTR2B
SCHEMBL9643569 0.80 HAO1 (0.42) HDAC8HDAC6HDAC1HTR2CHTR2B
SCHEMBL781509 0.80 HDAC1 (0.54) HDAC8HDAC6HDAC1HAO1ESR2
SCHEMBL7652663 0.79 SPHK1 (0.46) CYP3A4CYP2D6
SCHEMBL4452070 0.79 LTA4H (0.44) HDAC8HDAC6HDAC1HTR2CHTR2B

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774212-B2 FOR THERAPY OF VIRAL INFECTION OR AS AN ASSAY STANDARD OR REAGENT BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-10 US claimed
US-6699855-B2 PYRROLOPYRAZINONES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2004-03-02 US claimed
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-05 US claimed
US-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-30 US claimed
US-9090722-B2 Chemical amplification resist composition, and mold preparation method and resist film using the same FUJIFILM CORPORATION (JP) 2015-07-28 US disclosed
EP-1367439-B1 Radiation-sensitive composition FUJIFILM CORP (JP) 2012-08-01 EP disclosed
US-20120006788-A1 CHEMICAL AMPLIFICATION RESIST COMPOSITION, AND MOLD PREPARATION METHOD AND RESIST FILM USING THE SAME FUJIFILM CORPORATION (JP) 2012-01-12 US disclosed
EP-2399168-A1 CHEMICAL AMPLIFICATION RESIST COMPOSITION, AND MOLD PREPARATION METHOD AND RESIST FILM USING THE SAME FUJIFILM Corporation (JP) 2011-12-28 EP disclosed
WO-2010150917-A1 CHEMICAL AMPLIFICATION RESIST COMPOSITION, AND MOLD PREPARATION METHOD AND RESIST FILM USING THE SAME FUJIFILM CORPORATION (JP) 2010-12-29 WO disclosed
EP-1467251-B1 Positive resist composition FUJIFILM CORP (JP) 2010-09-08 EP disclosed
EP-1465010-B1 Positive resist composition FUJIFILM CORP (JP) 2009-10-21 EP disclosed
US-20080096130-A1 POSITIVE RESIST COMPOSITION FUJIFILM CORPORATION 2008-04-24 US disclosed
US-20030134221-A1 Positive resist composition FUJI PHOTO FILM CO., LTD. 2003-07-17 US disclosed
US-20030108811-A1 Positive resist composition FUJI PHOTO FILM CO., LTD. 2003-06-12 US disclosed
US-6492364-B1 Triazolo and derivatives as chemokine inhibitors TORAY INDUSTRIES, INC. (JP) 2002-12-10 US disclosed
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-05 US disclosed
US-20020012866-A1 Positive photoresist composition FUJIFILM CORPORATION (JP) 2002-01-31 US disclosed
CN-1293674-A Triazolo gerivatives and chemokine inhibitors containing the same as the active ingredient TORAY INDUSTRIES (JP) 2001-05-02 CN disclosed
US-6207343-B1 RESIN CONTAINING GROUPS WHICH DECOMPOSE BY THE ACTION OF AN ACID TO ENHANCE ITS SOLUBILITY IN AN ALKALINE DEVELOPING SOLUTION AND A COMPOUND WHICH GENERATES AN ACID UPON IRRADIATION WITH ACTINIC RAYS OR RADIATION FUJI PHOTO FILM CO., LTD. (JP) 2001-03-27 US disclosed
EP-1067130-A1 TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2001-01-10 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 (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-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease TMPRSS15, CTRC, CPN1 HDAC8 3580/4885HDAC6 4121/4885HDAC1 3095/4885
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 HDAC8 454/4885HDAC6 546/4885HDAC1 307/4885

“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.