SCHEMBL2919141

SCHEMBL2919141

[CH2]Cc1ccc(C2CCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 10/20 0.43
ESR1 P03372 6/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2D6 P10635 1/20 0.43
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
RORC P51449 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
LTA4H P09960 1/20 0.36
HAO1 Q9UJM8 1/20 0.36
MITF O75030 1/20 0.35
KLF5 Q13887 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
SCHEMBL676292 0.95 HDAC8 (0.41) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL676977 0.93 HAO1 (0.42) HDAC1HDAC8HDAC6HTR2CHTR2B
SCHEMBL330369 0.93 HAO1 (0.42) HDAC1HDAC8HDAC6HTR2CHTR2B
SCHEMBL2923249 0.91 ESR2 (0.42) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL5886587 0.80 ESR2 (0.56) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL4452070 0.79 LTA4H (0.44) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL3146239 0.78 SPHK1 (0.41) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL15093638 0.78 ESR2 (0.47) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL11997346 0.77 HRH3 (0.44) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL13368345 0.77 ESR2 (0.52) ESR2ESR1CYP3A4CYP2C9CYP2D6

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 24 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
EP-1367439-B1 Radiation-sensitive composition FUJIFILM CORP (JP) 2012-08-01 EP disclosed
EP-1467251-B1 Positive resist composition FUJIFILM CORP (JP) 2010-09-08 EP disclosed
US-20080096130-A1 POSITIVE RESIST COMPOSITION FUJIFILM CORPORATION 2008-04-24 US disclosed
US-7361446-B2 Sensitivity, high resolution, good pattern profile, used for super-microlithography FUJIFILM CORPORATION (JP) 2008-04-22 US disclosed
US-7179579-B2 Radiation-sensitive composition FUJI PHOTO FILM CO., LTD. (JP) 2007-02-20 US disclosed
EP-1467251-A1 Positive resist composition Fuji Photo Film Co., Ltd. (JP) 2004-10-13 EP disclosed
US-20040197702-A1 Positive resist composition FUJI PHOTO FILM CO., LTD. 2004-10-07 US disclosed
US-6774212-B2 FOR THERAPY OF VIRAL INFECTION OR AS AN ASSAY STANDARD OR REAGENT BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-10 US disclosed
US-6692883-B2 GENERATING ACID; ADJUSTMENT SOLUBILITY IN ALKLAINE DEVELOPER FUJI PHOTO FILM CO., LTD. (JP) 2004-02-17 US disclosed
EP-1367439-A1 Radiation-sensitive composition FUJI PHOTO FILM CO., LTD. (JP) 2003-12-03 EP disclosed
US-6630280-B1 Resin and compound that generates an arylsulfonic acid when exposed to actinic radiation; sensitivity; resolution; smoothness FUJI PHOTO FILM CO., LTD. (JP) 2003-10-07 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-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-05 US disclosed
US-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-30 US disclosed
US-20020012866-A1 Positive photoresist composition FUJIFILM CORPORATION (JP) 2002-01-31 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 (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 ESR2 880/4885ESR1 1023/4885CYP3A4 421/4885
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 ESR2 3559/4885ESR1 4224/4885CYP3A4 222/4885

“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.